 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer03_STD_B3LYPDBJ_augccpVDZ.in
 Output=22_phenylethanamine_conformer03_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-11986.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     11991.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer03_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:46:11 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer03_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.759102000000      1.294865000000      0.124219000000
  C                                                -0.385999000000      1.089252000000      0.091522000000
  C                                                 0.143220000000     -0.195011000000     -0.038794000000
  C                                                -0.738993000000     -1.267271000000     -0.139586000000
  C                                                -2.114323000000     -1.067587000000     -0.113927000000
  C                                                -2.629131000000      0.215606000000      0.019441000000
  C                                                 1.640191000000     -0.425479000000     -0.053017000000
  N                                                 2.173891000000     -0.208169000000      1.300507000000
  C                                                 2.343118000000      0.395962000000     -1.141195000000
  H                                                 1.921765000000      0.715604000000      1.634380000000
  H                                                 1.800966000000     -1.482881000000     -0.280603000000
  H                                                 2.234739000000      1.467081000000     -0.959830000000
  H                                                 1.932322000000      0.176383000000     -2.128993000000
  H                                                 3.410705000000      0.164795000000     -1.156871000000
  H                                                -0.342500000000     -2.270931000000     -0.234294000000
  H                                                -2.783048000000     -1.915102000000     -0.194949000000
  H                                                -3.699496000000      0.374691000000      0.041084000000
  H                                                -2.150672000000      2.298939000000      0.227511000000
  H                                                 0.276829000000      1.942910000000      0.165669000000
  H                                                 3.187261000000     -0.256330000000      1.291368000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:46:12 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.759102    1.294865    0.124219
      2          6           0       -0.385999    1.089252    0.091522
      3          6           0        0.143220   -0.195011   -0.038794
      4          6           0       -0.738993   -1.267271   -0.139586
      5          6           0       -2.114323   -1.067587   -0.113927
      6          6           0       -2.629131    0.215606    0.019441
      7          6           0        1.640191   -0.425479   -0.053017
      8          7           0        2.173891   -0.208169    1.300507
      9          6           0        2.343118    0.395962   -1.141195
     10          1           0        1.921765    0.715604    1.634380
     11          1           0        1.800966   -1.482881   -0.280603
     12          1           0        2.234739    1.467081   -0.959830
     13          1           0        1.932322    0.176383   -2.128993
     14          1           0        3.410705    0.164795   -1.156871
     15          1           0       -0.342500   -2.270931   -0.234294
     16          1           0       -2.783048   -1.915102   -0.194949
     17          1           0       -3.699496    0.374691    0.041084
     18          1           0       -2.150672    2.298939    0.227511
     19          1           0        0.276829    1.942910    0.165669
     20          1           0        3.187261   -0.256330    1.291368
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388797   0.000000
     3  C    2.421804   1.395130   0.000000
     4  C    2.770335   2.393996   1.392193   0.000000
     5  C    2.400849   2.771510   2.421474   1.389987   0.000000
     6  C    1.390226   2.408338   2.803200   2.407662   1.389028
     7  C    3.813947   2.533919   1.514675   2.525198   3.809513
     8  N    4.371636   3.114158   2.432596   3.417669   4.596521
     9  C    4.386058   3.073812   2.530630   3.642660   4.802711
    10  H    4.020561   2.801035   2.606138   3.762763   4.746194
    11  H    4.533634   3.396640   2.113103   2.552991   3.940779
    12  H    4.141930   2.848923   2.825829   4.122204   5.104354
    13  H    4.467055   3.337458   2.776284   3.630124   4.688634
    14  H    5.444736   4.102203   3.472177   4.506182   5.756078
    15  H    3.853595   3.376222   2.140932   1.083287   2.145200
    16  H    3.384409   3.854096   3.397961   2.144973   1.082608
    17  H    2.149130   3.390045   3.885538   3.390171   2.148713
    18  H    1.082664   2.143807   3.398918   3.852980   3.383991
    19  H    2.136983   1.083315   2.151828   3.380878   3.854721
    20  H    5.313657   4.002300   3.322541   4.299430   5.544347
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.317795   0.000000
     8  N    4.988961   1.471083   0.000000
     9  C    5.109096   1.533950   2.521016   0.000000
    10  H    4.854759   2.056371   1.014098   2.825513   0.000000
    11  H    4.754013   1.093500   2.064915   2.136492   2.918062
    12  H    5.116873   2.181188   2.814123   1.091758   2.718933
    13  H    5.042238   2.181113   3.459437   1.092114   3.801822
    14  H    6.153528   2.168326   2.776242   1.092440   3.211139
    15  H    3.387614   2.714704   3.597614   3.891957   4.187867
    16  H    2.146991   4.669493   5.451720   5.702103   5.692304
    17  H    1.082339   5.400128   6.035110   6.157225   5.852639
    18  H    2.147671   4.676729   5.112608   5.068415   4.590313
    19  H    3.383721   2.741504   3.084452   2.893180   2.523729
    20  H    5.972515   2.056552   1.014555   2.656205   1.632113
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.058069   0.000000
    13  H    2.487359   1.767569   0.000000
    14  H    2.464537   1.765693   1.769399   0.000000
    15  H    2.284210   4.597967   3.841099   4.568420   0.000000
    16  H    4.605142   6.099376   5.509043   6.604078   2.466665
    17  H    5.814563   6.116395   6.038703   7.213467   4.283056
    18  H    5.493249   4.618831   5.170029   6.115554   4.936240
    19  H    3.776003   2.307937   3.335678   3.838227   4.277849
    20  H    2.428443   2.990875   3.668921   2.494223   4.341137
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477648   0.000000
    18  H    4.282116   2.477164   0.000000
    19  H    4.937322   4.276212   2.454250   0.000000
    20  H    6.372225   7.027718   6.012880   3.817652   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 8.15D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.759102    1.294865    0.124219
      2          6           0       -0.385999    1.089252    0.091522
      3          6           0        0.143220   -0.195011   -0.038794
      4          6           0       -0.738993   -1.267271   -0.139586
      5          6           0       -2.114323   -1.067587   -0.113927
      6          6           0       -2.629131    0.215606    0.019441
      7          6           0        1.640191   -0.425479   -0.053017
      8          7           0        2.173891   -0.208169    1.300507
      9          6           0        2.343118    0.395962   -1.141195
     10          1           0        1.921765    0.715604    1.634380
     11          1           0        1.800966   -1.482881   -0.280603
     12          1           0        2.234739    1.467081   -0.959830
     13          1           0        1.932322    0.176383   -2.128993
     14          1           0        3.410705    0.164795   -1.156871
     15          1           0       -0.342500   -2.270931   -0.234294
     16          1           0       -2.783048   -1.915102   -0.194949
     17          1           0       -3.699496    0.374691    0.041084
     18          1           0       -2.150672    2.298939    0.227511
     19          1           0        0.276829    1.942910    0.165669
     20          1           0        3.187261   -0.256330    1.291368
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4238817           1.0937065           0.9971853
 Leave Link  202 at Thu Aug 12 19:46:12 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.2473536436 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0347232093 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.2126304344 Hartrees.
 Leave Link  301 at Thu Aug 12 19:46:15 2021, MaxMem=  5368709120 cpu:              17.0 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.75D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 19:46:16 2021, MaxMem=  5368709120 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:46:16 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer03_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:46:17 2021, MaxMem=  5368709120 cpu:               4.1 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368493398 LenY=  5368387981
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.297639151923    
 DIIS: error= 2.36D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.297639151923     IErMin= 1 ErrMin= 2.36D-03
 ErrMax= 2.36D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.66D-03 BMatP= 4.66D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.36D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.228 Goal=   None    Shift=    0.000
 GapD=    0.228 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.56D-02 MaxDP=4.49D+00              OVMax= 2.67D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.80D-02    CP:  1.96D+00
 E= -366.302153818485     Delta-E=       -0.004514666563 Rises=F Damp=F
 DIIS: error= 2.30D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.302153818485     IErMin= 2 ErrMin= 2.30D-04
 ErrMax= 2.30D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.30D-05 BMatP= 4.66D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.30D-03
 Coeff-Com:  0.375D-03 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.374D-03 0.100D+01
 Gap=     0.230 Goal=   None    Shift=    0.000
 RMSDP=2.68D-03 MaxDP=1.58D-01 DE=-4.51D-03 OVMax= 3.45D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.27D-04    CP:  1.98D+00  1.04D+00
 E= -366.302162422338     Delta-E=       -0.000008603852 Rises=F Damp=F
 DIIS: error= 2.36D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -366.302162422338     IErMin= 2 ErrMin= 2.30D-04
 ErrMax= 2.36D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.46D-05 BMatP= 3.30D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.36D-03
 Coeff-Com: -0.711D-02 0.510D+00 0.498D+00
 Coeff-En:   0.000D+00 0.433D+00 0.567D+00
 Coeff:     -0.709D-02 0.509D+00 0.498D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=2.22D-04 MaxDP=9.55D-03 DE=-8.60D-06 OVMax= 2.57D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.50D-04    CP:  1.99D+00  1.04D+00  9.11D-01
 E= -366.302196589949     Delta-E=       -0.000034167612 Rises=F Damp=F
 DIIS: error= 6.28D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.302196589949     IErMin= 4 ErrMin= 6.28D-05
 ErrMax= 6.28D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.51D-06 BMatP= 3.30D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.416D-02 0.144D+00 0.267D+00 0.592D+00
 Coeff:     -0.416D-02 0.144D+00 0.267D+00 0.592D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=6.99D-05 MaxDP=3.00D-03 DE=-3.42D-05 OVMax= 1.07D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.82D-05    CP:  1.99D+00  1.04D+00  9.13D-01  9.56D-01
 E= -366.302199622272     Delta-E=       -0.000003032323 Rises=F Damp=F
 DIIS: error= 3.53D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.302199622272     IErMin= 5 ErrMin= 3.53D-05
 ErrMax= 3.53D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.77D-07 BMatP= 3.51D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.152D-02 0.269D-01 0.110D+00 0.371D+00 0.494D+00
 Coeff:     -0.152D-02 0.269D-01 0.110D+00 0.371D+00 0.494D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.89D-05 MaxDP=1.04D-03 DE=-3.03D-06 OVMax= 3.65D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.27D-05    CP:  1.99D+00  1.04D+00  9.24D-01  9.68D-01  7.91D-01
 E= -366.302200391701     Delta-E=       -0.000000769428 Rises=F Damp=F
 DIIS: error= 4.95D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.302200391701     IErMin= 6 ErrMin= 4.95D-06
 ErrMax= 4.95D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-08 BMatP= 6.77D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.293D-03-0.583D-03 0.286D-01 0.115D+00 0.225D+00 0.632D+00
 Coeff:     -0.293D-03-0.583D-03 0.286D-01 0.115D+00 0.225D+00 0.632D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=4.22D-06 MaxDP=1.79D-04 DE=-7.69D-07 OVMax= 6.15D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.07D-06    CP:  1.99D+00  1.04D+00  9.27D-01  9.70D-01  8.19D-01
                    CP:  1.04D+00
 E= -366.302200413910     Delta-E=       -0.000000022210 Rises=F Damp=F
 DIIS: error= 2.33D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.302200413910     IErMin= 7 ErrMin= 2.33D-06
 ErrMax= 2.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.09D-09 BMatP= 2.39D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.586D-04-0.271D-02 0.580D-02 0.286D-01 0.807D-01 0.355D+00
 Coeff-Com:  0.532D+00
 Coeff:     -0.586D-04-0.271D-02 0.580D-02 0.286D-01 0.807D-01 0.355D+00
 Coeff:      0.532D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.24D-06 MaxDP=4.43D-05 DE=-2.22D-08 OVMax= 1.46D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.45D-07    CP:  1.99D+00  1.04D+00  9.27D-01  9.74D-01  8.17D-01
                    CP:  1.06D+00  9.28D-01
 E= -366.302200417621     Delta-E=       -0.000000003711 Rises=F Damp=F
 DIIS: error= 3.55D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.302200417621     IErMin= 8 ErrMin= 3.55D-07
 ErrMax= 3.55D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-10 BMatP= 4.09D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.179D-04-0.883D-03-0.747D-03-0.123D-02 0.765D-02 0.638D-01
 Coeff-Com:  0.177D+00 0.755D+00
 Coeff:      0.179D-04-0.883D-03-0.747D-03-0.123D-02 0.765D-02 0.638D-01
 Coeff:      0.177D+00 0.755D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=7.05D-07 MaxDP=4.09D-05 DE=-3.71D-09 OVMax= 5.17D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.20D-07    CP:  1.99D+00  1.04D+00  9.27D-01  9.75D-01  8.18D-01
                    CP:  1.07D+00  9.50D-01  1.00D+00
 E= -366.302200417732     Delta-E=       -0.000000000111 Rises=F Damp=F
 DIIS: error= 2.68D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.302200417732     IErMin= 9 ErrMin= 2.68D-07
 ErrMax= 2.68D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.17D-11 BMatP= 1.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.127D-04-0.417D-03-0.663D-03-0.183D-02 0.148D-02 0.242D-01
 Coeff-Com:  0.798D-01 0.442D+00 0.455D+00
 Coeff:      0.127D-04-0.417D-03-0.663D-03-0.183D-02 0.148D-02 0.242D-01
 Coeff:      0.798D-01 0.442D+00 0.455D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.17D-07 MaxDP=5.08D-06 DE=-1.11D-10 OVMax= 3.05D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  9.36D-08    CP:  1.99D+00  1.04D+00  9.27D-01  9.75D-01  8.19D-01
                    CP:  1.07D+00  9.48D-01  1.03D+00  8.52D-01
 E= -366.302200417797     Delta-E=       -0.000000000065 Rises=F Damp=F
 DIIS: error= 5.29D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -366.302200417797     IErMin=10 ErrMin= 5.29D-08
 ErrMax= 5.29D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-12 BMatP= 3.17D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.381D-05-0.885D-04-0.255D-03-0.871D-03-0.479D-03 0.326D-02
 Coeff-Com:  0.141D-01 0.123D+00 0.246D+00 0.615D+00
 Coeff:      0.381D-05-0.885D-04-0.255D-03-0.871D-03-0.479D-03 0.326D-02
 Coeff:      0.141D-01 0.123D+00 0.246D+00 0.615D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=4.74D-08 MaxDP=2.41D-06 DE=-6.51D-11 OVMax= 7.49D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.78D-08    CP:  1.99D+00  1.04D+00  9.27D-01  9.75D-01  8.19D-01
                    CP:  1.07D+00  9.53D-01  1.02D+00  8.74D-01  8.36D-01
 E= -366.302200417777     Delta-E=        0.000000000020 Rises=F Damp=F
 DIIS: error= 1.54D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -366.302200417797     IErMin=11 ErrMin= 1.54D-08
 ErrMax= 1.54D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-13 BMatP= 2.46D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.509D-06 0.144D-06-0.437D-04-0.198D-03-0.329D-03-0.617D-03
 Coeff-Com: -0.181D-02 0.113D-01 0.724D-01 0.300D+00 0.619D+00
 Coeff:      0.509D-06 0.144D-06-0.437D-04-0.198D-03-0.329D-03-0.617D-03
 Coeff:     -0.181D-02 0.113D-01 0.724D-01 0.300D+00 0.619D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=1.34D-08 MaxDP=5.67D-07 DE= 2.01D-11 OVMax= 1.34D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.64D-09    CP:  1.99D+00  1.04D+00  9.27D-01  9.75D-01  8.19D-01
                    CP:  1.07D+00  9.52D-01  1.03D+00  8.76D-01  8.37D-01
                    CP:  7.02D-01
 E= -366.302200417790     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 4.14D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -366.302200417797     IErMin=12 ErrMin= 4.14D-09
 ErrMax= 4.14D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-14 BMatP= 2.07D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.148D-07 0.523D-05-0.572D-05-0.433D-04-0.142D-03-0.514D-03
 Coeff-Com: -0.184D-02-0.313D-02 0.170D-01 0.975D-01 0.292D+00 0.599D+00
 Coeff:      0.148D-07 0.523D-05-0.572D-05-0.433D-04-0.142D-03-0.514D-03
 Coeff:     -0.184D-02-0.313D-02 0.170D-01 0.975D-01 0.292D+00 0.599D+00
 Gap=     0.228 Goal=   None    Shift=    0.000
 RMSDP=2.53D-09 MaxDP=1.09D-07 DE=-1.27D-11 OVMax= 2.65D-08

 SCF Done:  E(RB3LYP) =  -366.302200418     A.U. after   12 cycles
            NFock= 12  Conv=0.25D-08     -V/T= 2.0061
 KE= 3.640870708785D+02 PE=-1.699688193417D+03 EE= 5.440862916868D+02
 Leave Link  502 at Thu Aug 12 19:48:58 2021, MaxMem=  5368709120 cpu:            1279.8 elap:             160.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.11419385D+03

 Leave Link  801 at Thu Aug 12 19:48:58 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 4.75D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 4.28D-01 1.22D-01.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 6.08D-02 4.33D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 5.02D-03 1.71D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 6.82D-04 7.64D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 2.60D-05 6.64D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 4.12D-07 8.82D-05.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 3.89D-09 8.16D-06.
     10 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 3.97D-11 7.34D-07.
      7 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 4.95D-13 1.40D-07.
      1 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 1.89D-14 1.76D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   106 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.138551D+03
      2  0.101701D+01  0.110568D+03
      3 -0.731331D+00  0.227790D+01  0.811719D+02
 Isotropic polarizability for W=    0.085645      110.10 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.634036D+02  0.233282D+01  0.436046D+01
      2   0.122393D+02  0.375267D+01  0.536674D+01
      3   0.511643D+02 -0.608549D+01 -0.972721D+01
      4   0.108685D+02 -0.752061D+02 -0.190678D+02
      5  -0.899504D+01 -0.182364D+02  0.555054D+02
      6  -0.589133D+01 -0.575972D+01  0.269817D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.151941D+01 -0.158967D+01 -0.110569D+01
      2   0.153856D+01 -0.848231D+01  0.203213D+02
      3  -0.589839D+01  0.361377D+02  0.758263D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.831352D+00 -0.111265D+02 -0.878366D+01
      2   0.133555D+02 -0.131764D+02  0.434110D+01
      3   0.853570D+01  0.874454D+02  0.123451D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.242004D+00  0.291408D+00  0.172002D+01
      2   0.291408D+00  0.125691D+01 -0.264144D+01
      3   0.172002D+01 -0.264144D+01 -0.395177D+00
 OR G Eigenvalues:    -3.1888     0.4185     3.3900  Iso=    -0.2066
 Eigenvectors:
   (1)  -0.478884   0.471405   0.740572
   (2)   0.845313   0.475248   0.244100
   (3)  -0.236886   0.742911  -0.626073
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2066 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =      -80.85 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 2.01D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.71D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 6.07D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 3.65D-02 4.65D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 6.79D-04 4.45D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 7.35D-06 3.80D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 4.99D-08 2.87D-05.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 2.34D-10 1.27D-06.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 5.83D-13 8.67D-08.
      5 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 3.29D-15 4.68D-09.
      2 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 1.10D-15 4.00D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   217 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 9.56D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 9.56D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.59D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.138551D+03  0.101701D+01 -0.731331D+00
      2   0.101701D+01  0.110568D+03  0.227790D+01
      3  -0.731331D+00  0.227790D+01  0.811719D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.151941D+01 -0.158967D+01 -0.110569D+01
      2   0.153856D+01 -0.848231D+01  0.203213D+02
      3  -0.589839D+01  0.361377D+02  0.758263D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.634036D+02  0.233282D+01  0.436046D+01
      2   0.122393D+02  0.375267D+01  0.536674D+01
      3   0.511643D+02 -0.608549D+01 -0.972721D+01
      4   0.108685D+02 -0.752061D+02 -0.190678D+02
      5  -0.899504D+01 -0.182364D+02  0.555054D+02
      6  -0.589133D+01 -0.575972D+01  0.269817D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.407899D+01 -0.988892D+00 -0.235517D+00  0.565401D+01 -0.406235D+00
      2  -0.988892D+00 -0.232822D+01 -0.787981D-01 -0.406235D+00  0.117904D+01
      3  -0.235517D+00 -0.787981D-01 -0.109718D+01  0.193282D+00 -0.627588D+00
                 6             7             8             9            10 
      1   0.193282D+00  0.748181D+00  0.231817D+00 -0.200717D+01 -0.324109D+01
      2  -0.627588D+00  0.231817D+00 -0.681655D+00  0.431410D+01 -0.751042D+00
      3   0.284562D+01 -0.200717D+01  0.431410D+01  0.135705D+01  0.876531D-01
                11            12            13            14            15 
      1  -0.751042D+00  0.876531D-01  0.890625D+01  0.171855D+00  0.131793D-01
      2   0.414838D+01  0.233419D+00  0.171855D+00  0.112660D+01 -0.292010D+00
      3   0.233419D+00  0.219522D+01  0.131793D-01 -0.292010D+00  0.161777D+01
                16            17            18            19            20 
      1   0.885507D+00 -0.575195D-01  0.170079D+01  0.172299D+02 -0.148017D+01
      2  -0.575195D-01 -0.615746D+00  0.329382D+01 -0.148017D+01  0.250584D+01
      3   0.170079D+01  0.329382D+01  0.840832D+00  0.138967D+00  0.252853D+00
                21            22            23            24            25 
      1   0.138967D+00 -0.257616D+01 -0.158889D+01 -0.100637D+01 -0.275352D+00
      2   0.252853D+00 -0.158889D+01 -0.814778D+00 -0.204962D+00 -0.671157D+00
      3   0.196623D+01 -0.100637D+01 -0.204962D+00  0.513736D+00  0.451795D+01
                26            27            28            29            30 
      1  -0.671157D+00  0.451795D+01 -0.499436D+01  0.282447D+01  0.205388D+00
      2  -0.271640D-01 -0.321494D+00  0.282447D+01  0.298005D+01  0.799671D-01
      3  -0.321494D+00 -0.726522D-02  0.205388D+00  0.799671D-01  0.164021D+01
                31            32            33            34            35 
      1  -0.719623D+01 -0.508032D-02 -0.698667D-01 -0.685417D+00 -0.230901D+00
      2  -0.508032D-02 -0.154899D+01  0.338488D+00 -0.230901D+00  0.560572D+00
      3  -0.698667D-01  0.338488D+00 -0.248554D+01  0.138100D+01 -0.405090D+01
                36            37            38            39            40 
      1   0.138100D+01  0.242780D+01 -0.461707D+00  0.175431D-01 -0.639110D+01
      2  -0.405090D+01 -0.461707D+00 -0.389643D+01 -0.389545D+00  0.731219D+00
      3  -0.119845D+01  0.175431D-01 -0.389545D+00 -0.174875D+01  0.248711D+00
                41            42            43            44            45 
      1   0.731219D+00  0.248711D+00 -0.979655D+00  0.353777D+00 -0.329029D+01
      2  -0.137434D+00  0.671495D+00  0.353777D+00  0.758044D+00 -0.371310D+01
      3   0.671495D+00 -0.244640D+01 -0.329029D+01 -0.371310D+01 -0.103869D+01
                46            47            48            49            50 
      1  -0.591685D+01  0.247484D+00  0.171828D-01  0.115230D+01  0.146173D+01
      2   0.247484D+00 -0.354151D+01 -0.468652D-01  0.146173D+01 -0.447341D+00
      3   0.171828D-01 -0.468652D-01 -0.336978D+01  0.911552D+00 -0.240233D+00
                51            52            53            54            55 
      1   0.911552D+00  0.115451D+00  0.736271D+00 -0.578286D+01 -0.306003D+01
      2  -0.240233D+00  0.736271D+00 -0.134500D+00  0.702230D+00 -0.695501D+00
      3   0.543812D+00 -0.578286D+01  0.702230D+00  0.322563D+00  0.354972D+00
                56            57            58            59            60 
      1  -0.695501D+00  0.354972D+00 -0.270729D+01 -0.138947D+01  0.190527D+01
      2  -0.808797D+00  0.171461D+01 -0.138947D+01  0.640942D+01  0.333502D+01
      3   0.171461D+01 -0.526897D+01  0.190527D+01  0.333502D+01 -0.395150D+01
                61            62            63            64            65 
      1  -0.342548D+00  0.149052D+01 -0.693105D+01 -0.977732D+01  0.339514D-01
      2   0.149052D+01  0.282176D+01 -0.944511D+00  0.339514D-01  0.108198D+01
      3  -0.693105D+01 -0.944511D+00  0.748922D+00 -0.508114D+00 -0.752619D+00
                66            67            68            69            70 
      1  -0.508114D+00  0.405578D+00  0.124077D+01 -0.115376D+01  0.282449D+01
      2  -0.752619D+00  0.124077D+01 -0.398280D+01 -0.139734D+01 -0.115236D+01
      3   0.179399D+01 -0.115376D+01 -0.139734D+01  0.550891D+00  0.386615D+01
                71            72            73            74            75 
      1  -0.115236D+01  0.386615D+01 -0.955979D+01  0.202814D+01  0.251493D+00
      2  -0.259118D+01 -0.898679D+00  0.202814D+01  0.129160D+01 -0.114357D+01
      3  -0.898679D+00  0.306489D+01  0.251493D+00 -0.114357D+01  0.578217D+01
                76            77            78            79            80 
      1   0.516996D+01  0.972252D+00 -0.159020D+01 -0.337462D+01 -0.151794D+01
      2   0.972252D+00 -0.485717D+01 -0.203514D+01 -0.151794D+01 -0.202467D+01
      3  -0.159020D+01 -0.203514D+01  0.428797D+01  0.458991D+01  0.197358D+01
                81            82            83            84            85 
      1   0.458991D+01 -0.845433D+00  0.468955D+00 -0.493130D-01  0.215708D+01
      2   0.197358D+01  0.468955D+00 -0.123163D+01 -0.232481D+00 -0.125993D-01
      3   0.473231D+01 -0.493130D-01 -0.232481D+00 -0.107536D+01  0.463299D+00
                86            87            88            89            90 
      1  -0.125993D-01  0.463299D+00  0.907003D+00  0.302274D+00  0.381497D+00
      2   0.417600D+01  0.256096D+01  0.302274D+00  0.280405D+01  0.986532D+00
      3   0.256096D+01  0.212548D+01  0.381497D+00  0.986532D+00  0.261328D+01
                91            92            93            94            95 
      1   0.132429D+00 -0.116389D+01 -0.439360D+00 -0.253677D+01  0.182392D+01
      2  -0.116389D+01  0.134766D+01  0.123045D+00  0.182392D+01 -0.729077D+01
      3  -0.439360D+00  0.123045D+00  0.100263D+01  0.411443D-01 -0.152109D+01
                96            97            98            99           100 
      1   0.411443D-01 -0.463807D+00  0.178917D+00  0.951852D+00  0.544988D+00
      2  -0.152109D+01  0.178917D+00 -0.140185D+01 -0.122483D+01  0.617098D+00
      3  -0.144912D+01  0.951852D+00 -0.122483D+01 -0.869421D+00  0.121450D+00
               101           102           103           104           105 
      1   0.617098D+00  0.121450D+00  0.194545D+01  0.630805D+00 -0.377482D+00
      2  -0.113990D+00  0.190161D+00  0.630805D+00  0.668355D+01 -0.155982D+00
      3   0.190161D+00 -0.596283D+00 -0.377482D+00 -0.155982D+00  0.142006D+01
               106           107           108           109           110 
      1   0.801161D+00  0.324336D+00 -0.329056D+00 -0.748435D-01 -0.329174D+00
      2   0.324336D+00  0.963781D+00  0.660152D+00 -0.329174D+00 -0.491102D+00
      3  -0.329056D+00  0.660152D+00 -0.363516D+00 -0.105138D+01  0.908246D-01
               111           112           113           114           115 
      1  -0.105138D+01 -0.816508D+00 -0.127066D+00  0.161120D+00 -0.140063D+01
      2   0.908246D-01 -0.127066D+00 -0.177042D+00 -0.102393D+01 -0.120105D+00
      3  -0.324222D+01  0.161120D+00 -0.102393D+01 -0.202627D+01 -0.537575D+00
               116           117           118           119           120 
      1  -0.120105D+00 -0.537575D+00  0.133804D+02 -0.749480D+00 -0.217196D+01
      2  -0.103802D+01 -0.277593D+00 -0.749480D+00  0.969047D+00 -0.125079D-01
      3  -0.277593D+00 -0.103007D+02 -0.217196D+01 -0.125079D-01  0.128723D+01
               121           122           123           124           125 
      1  -0.253821D+01  0.122756D+01  0.622560D+00 -0.183121D-01  0.246979D+00
      2   0.122756D+01 -0.459363D-01 -0.132762D+00  0.246979D+00  0.218246D+00
      3   0.622560D+00 -0.132762D+00 -0.904197D+00  0.969585D+00 -0.235528D+00
               126           127           128           129           130 
      1   0.969585D+00  0.153773D+01 -0.184428D+01 -0.163349D+00 -0.155394D+01
      2  -0.235528D+00 -0.184428D+01  0.229425D+01  0.216444D+00  0.211066D+01
      3  -0.878914D+00 -0.163349D+00  0.216444D+00  0.104848D+00  0.234445D+00
               131           132           133           134           135 
      1   0.211066D+01  0.234445D+00 -0.735922D-02  0.217096D+00 -0.290753D-01
      2  -0.919298D+01 -0.738184D+00  0.217096D+00 -0.784494D+00 -0.155758D+00
      3  -0.738184D+00 -0.794037D+00 -0.290753D-01 -0.155758D+00 -0.495589D-01
               136           137           138           139           140 
      1  -0.515916D+01 -0.405808D+01 -0.372330D+00 -0.393098D+01 -0.471482D+01
      2  -0.405808D+01 -0.368165D+01 -0.287795D+00 -0.471482D+01 -0.680932D+01
      3  -0.372330D+00 -0.287795D+00 -0.473218D+00 -0.434085D+00 -0.578183D+00
               141           142           143           144           145 
      1  -0.434085D+00 -0.323074D+00 -0.434625D+00 -0.728069D-01 -0.134169D+02
      2  -0.578183D+00 -0.434625D+00 -0.672369D+00 -0.327658D-01  0.153729D+01
      3  -0.664160D+00 -0.728069D-01 -0.327658D-01 -0.439663D-01  0.248250D+00
               146           147           148           149           150 
      1   0.153729D+01  0.248250D+00  0.153489D+01 -0.179325D+01 -0.202097D+00
      2  -0.873560D+00 -0.268090D-01 -0.179325D+01  0.529633D+00  0.503862D-01
      3  -0.268090D-01 -0.720679D+00 -0.202097D+00  0.503862D-01  0.119304D+00
               151           152           153           154           155 
      1   0.186150D+00 -0.219633D+00  0.110350D+00 -0.223904D+01  0.268179D+01
      2  -0.219633D+00  0.416249D-01  0.144676D-01  0.268179D+01 -0.290641D+01
      3   0.110350D+00  0.144676D-01  0.147760D-01  0.284561D+00 -0.293353D+00
               156           157           158           159           160 
      1   0.284561D+00  0.230944D+01 -0.401542D+01 -0.444663D+00  0.269309D+00
      2  -0.293353D+00 -0.401542D+01  0.998206D+01  0.995602D+00 -0.411267D+00
      3  -0.293142D+00 -0.444663D+00  0.995602D+00  0.798957D+00 -0.228905D-01
               161           162           163           164           165 
      1  -0.411267D+00 -0.228905D-01  0.362324D+01  0.231791D+01  0.640424D-01
      2   0.101728D+01  0.835477D-01  0.231791D+01  0.237579D+01  0.173707D+00
      3   0.835477D-01  0.586503D-01  0.640424D-01  0.173707D+00  0.251789D+00
               166           167           168           169           170 
      1   0.258100D+01  0.297530D+01  0.238260D+00 -0.768037D-01  0.219423D+00
      2   0.297530D+01  0.568672D+01  0.444977D+00  0.219423D+00  0.511023D+00
      3   0.238260D+00  0.444977D+00  0.691473D+00 -0.967999D-01  0.669265D-01
               171           172           173           174           175 
      1  -0.967999D-01  0.153293D+02 -0.234865D+00  0.319982D+01 -0.156879D+01
      2   0.669265D-01 -0.234865D+00  0.878672D+00  0.189311D+00  0.706774D+00
      3  -0.291901D-01  0.319982D+01  0.189311D+00  0.186127D+01  0.245712D+00
               176           177           178           179           180 
      1   0.706774D+00  0.245712D+00  0.121032D+01  0.514090D+00  0.630487D+00
      2  -0.468461D+00  0.550478D+00  0.514090D+00  0.275258D+00 -0.240188D+00
      3   0.550478D+00 -0.793836D+00  0.630487D+00 -0.240188D+00  0.102643D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.480832D+00 -0.113354D+00  0.252148D+01 -0.419209D+00  0.228271D+00
      2   0.571074D+00  0.154226D+01 -0.533054D+00  0.560236D+00  0.167475D+01
      3  -0.505883D+01 -0.143472D+02 -0.164970D+01  0.372564D+01  0.397487D+00
                 6             7             8             9            10 
      1  -0.417069D+01  0.493831D+01  0.519570D+00 -0.696150D+00 -0.923031D+00
      2  -0.674748D+01 -0.907491D+01 -0.101751D+02 -0.233079D+01 -0.398042D+00
      3  -0.125431D+01  0.141358D+00 -0.148298D+01  0.562460D+01  0.107921D+01
                11            12            13            14            15 
      1   0.985097D-01 -0.375807D+01  0.323454D+00 -0.656815D-01 -0.215112D+01
      2   0.206510D-01 -0.154838D+01  0.848383D+00 -0.525900D+00 -0.126229D+01
      3   0.124531D+01  0.483230D+00  0.281338D+00  0.570487D+01  0.240686D-01
                16            17            18            19            20 
      1  -0.719738D+01  0.323252D+01  0.212991D-01  0.448347D+00 -0.524704D-01
      2  -0.132174D+02 -0.139929D+00 -0.348365D+00  0.616339D+00 -0.380182D+00
      3  -0.135041D+01  0.116035D+00  0.620911D+01 -0.374549D+01  0.693015D+01
                21            22            23            24            25 
      1   0.327924D-01  0.875562D+00 -0.110315D+01  0.173130D+01  0.113331D+01
      2  -0.275205D+01 -0.661753D+00 -0.825371D+00  0.166738D+01 -0.163321D+02
      3   0.438433D+00  0.164294D+02 -0.848895D+00  0.116439D+01 -0.139770D+00
                26            27            28            29            30 
      1   0.105042D+02  0.106131D+01 -0.158076D+00 -0.153723D+00  0.275727D+01
      2  -0.165265D-01 -0.616235D+00 -0.912873D+00  0.188360D+00 -0.129136D+01
      3   0.775093D+00 -0.200046D+01  0.681058D+01 -0.428774D+01 -0.522677D+00
                31            32            33            34            35 
      1  -0.111384D+01  0.220998D+00 -0.315244D+01  0.442623D+01  0.372859D+00
      2   0.161361D+01  0.693139D+00  0.153436D+01 -0.142445D+02  0.228254D+01
      3   0.490107D+01 -0.611581D+01 -0.342372D+00 -0.125271D+01 -0.309762D+00
                36            37            38            39            40 
      1  -0.380775D+00 -0.137499D-01  0.137739D+00 -0.341037D+01  0.915858D+00
      2   0.112421D+01  0.113828D+00  0.102703D+01  0.235889D+01 -0.172270D+00
      3  -0.563058D+01 -0.396156D+01 -0.105775D+02 -0.945147D+00  0.709394D+01
                41            42            43            44            45 
      1  -0.375712D-01 -0.215832D+01 -0.716220D+01  0.411400D+01  0.205705D+00
      2  -0.194688D+01  0.799924D+01 -0.358045D+01  0.106153D+02  0.261246D+01
      3  -0.101450D+01  0.126382D+01  0.714875D+00  0.149698D+01 -0.502665D+01
                46            47            48            49            50 
      1  -0.830823D-02 -0.408683D-01  0.127666D+01 -0.399823D+00 -0.192033D+01
      2  -0.411024D+00 -0.312717D+00  0.970298D+01 -0.263025D+01  0.277859D+00
      3   0.338355D+01 -0.737576D+01  0.290912D+00  0.137661D+02  0.231367D+01
                51            52            53            54            55 
      1   0.334645D+01  0.231565D+01  0.116213D+02  0.173355D+01 -0.485993D+00
      2  -0.223087D+01  0.898343D+01 -0.234928D+01 -0.871024D+00  0.697426D+00
      3  -0.284579D+00  0.228107D+01 -0.273829D+00  0.144329D+01  0.612844D+01
                56            57            58            59            60 
      1  -0.109385D+01  0.124923D+01  0.258172D+00 -0.631813D+00 -0.521720D+01
      2   0.274239D+01 -0.714578D+01  0.161437D+01  0.710021D+01 -0.803562D+01
      3   0.352174D+01 -0.332063D+01  0.100572D+02 -0.146706D+02 -0.954470D+01
                61            62            63            64            65 
      1  -0.192800D+01 -0.185245D+01  0.139297D+01 -0.165121D+01  0.391458D+01
      2  -0.155732D+02 -0.417140D-01 -0.234331D+01  0.185341D+02 -0.119740D+01
      3  -0.535243D+00 -0.755322D+01  0.554926D+01  0.372267D+01 -0.776325D+01
                66            67            68            69            70 
      1  -0.238986D+01  0.572421D+00 -0.101268D+02 -0.914679D+01  0.356864D+00
      2   0.117134D+02  0.308790D+00 -0.624273D+01  0.243572D+01  0.374738D+01
      3   0.131638D+01 -0.855152D+00  0.113130D+02  0.647125D+01 -0.501773D+00
                71            72            73            74            75 
      1   0.981593D+00  0.262970D+01 -0.309941D+01 -0.206473D+01 -0.168806D+01
      2  -0.210019D+01  0.537020D+01 -0.118388D+02 -0.610863D-01  0.181490D+02
      3   0.804227D+01  0.645955D+00 -0.126332D+02 -0.674072D+01  0.431489D+01
                76            77            78            79            80 
      1   0.702003D-01  0.868450D+01 -0.156040D+01 -0.250965D+00  0.363557D+01
      2  -0.198366D-01 -0.371484D+01  0.822670D+01  0.722954D+01  0.335214D+01
      3  -0.937037D+00  0.170795D+02  0.546384D+01  0.470858D+01  0.498789D+01
                81            82            83            84            85 
      1  -0.993510D+01  0.238575D+01 -0.293514D+01  0.829729D+00 -0.992234D+00
      2   0.224902D+02  0.286570D+01 -0.146134D+01 -0.167216D+01 -0.303462D+01
      3  -0.477593D+01 -0.340455D+01  0.431820D+01  0.815789D-01  0.399544D+01
                86            87            88            89            90 
      1   0.112200D+02  0.302799D+01  0.469465D+00  0.633829D+01  0.145635D+01
      2   0.707078D+01  0.497440D+01 -0.566758D+00  0.188636D+01  0.466907D+01
      3  -0.106510D+02 -0.706779D+01 -0.106484D+01 -0.705282D+01 -0.248021D+01
                91            92            93            94            95 
      1   0.567690D+00 -0.259053D+00  0.771564D+00  0.107950D+00  0.166959D+01
      2  -0.118679D+01  0.209682D+00  0.261950D+01 -0.476927D+00 -0.329480D+01
      3   0.340002D+01 -0.343447D+01 -0.150422D+00  0.274498D+01  0.149751D+02
                96            97            98            99           100 
      1  -0.270082D+01  0.873313D+00  0.185183D+01 -0.497638D+00 -0.149491D+01
      2  -0.310950D+01 -0.380744D+00 -0.208382D+01 -0.120050D+01  0.290966D+00
      3   0.348685D+01  0.477426D+00  0.326547D+01  0.176280D+01 -0.361202D+01
               101           102           103           104           105 
      1   0.392424D+00  0.482040D+00  0.329496D+00 -0.107221D+02 -0.351089D+01
      2   0.759201D+00 -0.784632D+00  0.109632D+01  0.446246D+00  0.309238D+01
      3   0.108220D+01  0.304811D+00  0.395057D+01 -0.194156D+02 -0.787816D+00
               106           107           108           109           110 
      1   0.161257D+00 -0.249367D+00 -0.967838D+00  0.100262D+01  0.176972D+01
      2  -0.119412D+01  0.139243D+01 -0.102944D+01 -0.434119D+01 -0.352893D+00
      3   0.102411D+01 -0.333353D+01 -0.219860D+01  0.103889D+01  0.944799D+00
               111           112           113           114           115 
      1   0.163353D+01  0.100847D+01  0.469817D+00  0.150633D+01  0.100720D+01
      2  -0.917061D+01 -0.125753D+01 -0.230775D+01 -0.506658D+01 -0.723936D+01
      3  -0.706997D+00  0.156452D+01  0.249200D+00  0.195864D+01 -0.655900D+00
               116           117           118           119           120 
      1   0.480647D+01  0.498850D+01  0.155467D+01 -0.214030D+01 -0.204556D+00
      2  -0.131997D+01 -0.266207D+02  0.106709D+02 -0.130270D+01  0.498741D+01
      3   0.200630D+01  0.137938D+00  0.714301D+01 -0.709388D+01 -0.481885D+00
               121           122           123           124           125 
      1  -0.166623D+01  0.849301D-01 -0.687581D+00 -0.129597D+00  0.397523D+00
      2  -0.150013D+01  0.894577D+00 -0.211262D+01  0.507624D+00 -0.538360D+00
      3  -0.316680D+01 -0.357448D-01  0.209508D+00 -0.115332D+01  0.257261D-01
               126           127           128           129           130 
      1   0.561369D+00  0.181057D-01 -0.151517D+00  0.141781D+01  0.575910D-01
      2  -0.168025D+01  0.697699D+00 -0.457181D+00  0.354766D+00 -0.589709D+00
      3   0.102621D+01 -0.629473D+01  0.391823D+01  0.423328D+00  0.743572D+01
               131           132           133           134           135 
      1   0.326862D+00 -0.421095D+01 -0.511182D+00  0.211651D+01 -0.277898D-01
      2   0.106702D+01 -0.601260D+00 -0.134275D+01  0.161667D+00 -0.160957D+00
      3  -0.941438D+01 -0.100552D+01  0.607277D+00 -0.647032D+00  0.572258D-01
               136           137           138           139           140 
      1   0.801764D-01  0.287452D+00 -0.226057D+01 -0.937960D-01  0.224626D+00
      2   0.173857D-01  0.962531D-01  0.290615D+01  0.443896D+00  0.854113D+00
      3  -0.163936D+01 -0.512398D+01 -0.132259D+00 -0.385228D+01 -0.114036D+02
               141           142           143           144           145 
      1  -0.327345D+01  0.977536D+00  0.158640D+01 -0.226771D+00 -0.222006D-01
      2   0.314806D+01 -0.100234D+01 -0.776630D+00  0.155862D+00 -0.293422D+00
      3  -0.782952D+00 -0.413949D+00 -0.115758D+01  0.607870D-01  0.917066D+00
               146           147           148           149           150 
      1  -0.846384D-01  0.686580D+00  0.293868D-01 -0.184073D-01 -0.523398D+00
      2  -0.453058D-01  0.588964D+01  0.770497D+00 -0.125673D+00 -0.836024D+00
      3  -0.538226D+01  0.633538D-01 -0.403194D+01  0.170835D+01  0.126243D+00
               151           152           153           154           155 
      1  -0.443124D+00  0.507853D+00  0.150115D-01 -0.368862D-01 -0.741500D-01
      2  -0.312069D+01  0.214253D+00 -0.952049D-01 -0.121138D+00  0.131795D+00
      3  -0.947527D+00  0.244517D+00 -0.164568D+00  0.769185D+00 -0.276795D+01
               156           157           158           159           160 
      1   0.153388D+01  0.144351D+00  0.163034D+00 -0.442040D+01 -0.635538D+00
      2   0.145076D+01  0.284859D+00 -0.130237D+01 -0.263932D+01 -0.583523D+00
      3  -0.130867D+00 -0.147708D+01  0.146674D+02  0.125284D+01 -0.117696D+00
               161           162           163           164           165 
      1   0.193540D+01 -0.273282D+00  0.354439D+00  0.418189D+00 -0.232681D+01
      2   0.554003D+00 -0.189201D+00 -0.113249D+01 -0.313557D+00  0.906707D+00
      3   0.157099D+01  0.166368D+00  0.107846D+02  0.364338D+01 -0.638809D-01
               166           167           168           169           170 
      1   0.118003D+00 -0.940983D-02 -0.313446D+01  0.337060D+00  0.207893D+01
      2  -0.554034D+00 -0.582195D+00  0.168402D+01 -0.158001D+01 -0.168619D+00
      3   0.793276D+01  0.551780D+01  0.567639D+00 -0.294010D+00  0.521233D+00
               171           172           173           174           175 
      1   0.299504D-01  0.100115D+01  0.214517D+01  0.845738D+00  0.239036D+00
      2   0.903535D-01 -0.148045D+02  0.305871D+00  0.444358D+01  0.335609D+01
      3  -0.165046D+00 -0.534014D+01 -0.598866D+01 -0.742323D+00 -0.283318D+00
               176           177           178           179           180 
      1   0.203548D+00 -0.177980D+00  0.177435D+01  0.780356D+00  0.395086D-01
      2   0.789822D+00 -0.212070D+01 -0.710225D+00 -0.125584D+01  0.133693D+01
      3   0.151085D+00 -0.128244D+01 -0.152755D+01 -0.124174D+01 -0.241525D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.960102D+01  0.215326D+02  0.221399D+01 -0.232303D+02  0.115253D+02
      2  -0.957174D+01 -0.130226D+02 -0.131164D+00  0.219640D+02 -0.189919D+02
      3  -0.292844D-01 -0.850999D+01 -0.208283D+01  0.126632D+01  0.746658D+01
      4   0.174987D+02 -0.564013D+01 -0.628785D+00  0.130105D+02  0.538092D+01
      5   0.135191D+01 -0.119950D+00 -0.292952D+01 -0.331460D+00  0.383539D+01
      6  -0.170129D+01 -0.123989D+00 -0.516385D+01  0.286720D+01 -0.576103D+01
                 6             7             8             9            10 
      1   0.170332D+01 -0.245908D+01  0.138270D+01 -0.670749D+01  0.347814D+00
      2  -0.378259D+01  0.365987D+01 -0.522643D+01 -0.243640D+01 -0.167543D+01
      3   0.207926D+01 -0.120078D+01  0.384373D+01  0.914389D+01  0.132761D+01
      4   0.382613D+01 -0.260066D+00  0.423403D+01 -0.169474D+02 -0.117309D+02
      5  -0.145398D+02  0.142120D+02 -0.169887D+02 -0.465229D+01 -0.552488D+00
      6   0.977186D+01 -0.724147D+01  0.179043D+02  0.204030D+01  0.161103D+00
                11            12            13            14            15 
      1  -0.181980D+02 -0.219070D+01  0.698413D+01  0.226039D+01  0.170514D+01
      2   0.128711D+02 -0.708706D+00 -0.172474D+02 -0.630824D+01 -0.178801D+01
      3   0.532696D+01  0.289940D+01  0.102632D+02  0.404785D+01  0.828738D-01
      4  -0.138075D+02 -0.114889D+01  0.421434D+01 -0.132619D+02 -0.122545D+01
      5  -0.138359D+01 -0.252003D+01  0.123903D+01 -0.113746D+01  0.193231D+01
      6  -0.240064D+00  0.864907D+01 -0.387067D+01 -0.237998D+01  0.498843D+01
                16            17            18            19            20 
      1   0.634247D+00  0.189966D+01 -0.153344D+02 -0.207767D+02  0.461367D+01
      2  -0.352891D+01 -0.323752D+01  0.240476D+01  0.492937D+01 -0.466302D+01
      3   0.289466D+01  0.133787D+01  0.129297D+02  0.158473D+02  0.493452D-01
      4   0.114661D+01 -0.111028D+01 -0.271088D+01  0.223495D+01  0.170329D+01
      5   0.238461D+00 -0.156991D+01  0.866780D-02  0.244919D+01  0.338706D+00
      6   0.682444D+01  0.111020D+02  0.522479D+00 -0.177385D+01 -0.806886D+00
                21            22            23            24            25 
      1   0.201376D+01  0.413200D+01 -0.606158D+01 -0.141984D+00  0.639242D+00
      2  -0.692328D+00  0.156212D+01  0.148901D+02  0.362958D+01  0.138218D+01
      3  -0.132144D+01 -0.569412D+01 -0.882848D+01 -0.348760D+01 -0.202142D+01
      4   0.493915D+00 -0.856840D+01 -0.445603D+00 -0.127252D+01 -0.216599D+01
      5   0.542708D+00 -0.392127D+01 -0.108464D+01  0.301539D+01  0.106769D+02
      6  -0.187473D+01  0.848795D+00  0.176364D+01 -0.402772D+01 -0.151512D+01
                26            27            28            29            30 
      1  -0.103033D+01 -0.487441D+01  0.131603D+02  0.989877D+01  0.738590D+00
      2   0.201130D+01 -0.549251D+01 -0.972520D+01 -0.593496D+01  0.105185D+01
      3  -0.980975D+00  0.103669D+02 -0.343509D+01 -0.396381D+01 -0.179044D+01
      4  -0.888558D+00  0.752400D+00  0.262218D+01 -0.194467D+02 -0.204108D+01
      5   0.680513D+00  0.627773D+00 -0.737799D+00 -0.205322D+01 -0.433667D+01
      6   0.535584D+01 -0.149601D+01 -0.438593D+00  0.184024D+00 -0.617187D+01
                31            32            33            34            35 
      1  -0.365948D+01  0.856520D+01  0.162142D+01 -0.183925D+00  0.151545D+01
      2   0.126541D+02 -0.160813D+02 -0.319536D+01  0.186162D+01 -0.500750D+01
      3  -0.899460D+01  0.751609D+01  0.157393D+01 -0.167769D+01  0.349205D+01
      4   0.903958D+01  0.161810D+02  0.117611D+01 -0.486251D+00  0.855107D+00
      5   0.645393D+00  0.141580D+01  0.134974D+00  0.632477D+01  0.623710D+01
      6   0.275001D+01 -0.394642D+01  0.769002D+01 -0.237383D+01  0.169562D+02
                36            37            38            39            40 
      1  -0.157009D+02 -0.109760D+01 -0.251438D+02 -0.338354D+01  0.300387D+02
      2   0.342297D+01 -0.166648D+01  0.156999D+02 -0.523128D-01 -0.304334D+02
      3   0.122780D+02  0.276408D+01  0.944398D+01  0.343585D+01  0.394704D+00
      4   0.735023D+01 -0.144115D+02  0.292836D+01  0.936366D-01 -0.927556D+00
      5   0.115380D+01 -0.747857D+00 -0.459101D-01  0.510937D+01 -0.282127D+01
      6   0.248563D+01 -0.423778D+00  0.919955D+00  0.811592D+01 -0.401815D+01
                41            42            43            44            45 
      1   0.400857D+01  0.326613D+00  0.259910D+01  0.579693D+00  0.158576D+01
      2  -0.885589D+01 -0.110274D+01 -0.460826D+01 -0.333113D+01 -0.843108D+01
      3   0.484733D+01  0.776131D+00  0.200916D+01  0.275144D+01  0.684532D+01
      4  -0.123241D+02 -0.479053D+01 -0.203279D+01 -0.473813D+01  0.168489D+02
      5  -0.472503D+01  0.167041D+02  0.210245D+02  0.165985D+02  0.556088D+01
      6  -0.381527D+01  0.517708D+01  0.811809D+01  0.136319D+02  0.648709D+00
                46            47            48            49            50 
      1  -0.135879D+02  0.644716D+01  0.942558D+00 -0.901192D+01 -0.218318D+02
      2   0.816238D+01 -0.453955D+01 -0.119719D+00  0.936602D+01  0.198492D+02
      3   0.542555D+01 -0.190761D+01 -0.822839D+00 -0.354106D+00  0.198267D+01
      4   0.286465D+01  0.247419D+02  0.231761D+00 -0.239480D+02  0.297783D+01
      5   0.118738D+01  0.168798D+00  0.224158D+02 -0.602230D+01  0.806665D+00
      6   0.531563D+00  0.333469D+00 -0.315357D+01  0.137033D+01  0.266871D+01
                51            52            53            54            55 
      1  -0.396897D+01 -0.280013D+00 -0.394631D+01  0.156793D+02  0.139750D+02
      2   0.548050D+01  0.124548D+01  0.306457D+01 -0.192531D+02 -0.389850D+01
      3  -0.151153D+01 -0.965466D+00  0.881748D+00  0.357377D+01 -0.100765D+02
      4   0.139513D+01 -0.659503D+01  0.136339D+01 -0.425088D+01 -0.700691D+01
      5  -0.388417D+01  0.388003D+02 -0.385696D+01 -0.167047D+01 -0.134327D+00
      6  -0.704552D+01 -0.279286D+01  0.593023D+01 -0.257230D+01  0.356637D+01
                56            57            58            59            60 
      1  -0.398385D+01  0.294716D+01 -0.105612D+02  0.198062D+01  0.850290D+01
      2   0.288366D+01  0.804674D+00  0.139988D+02 -0.121565D+02 -0.104577D+02
      3   0.110019D+01 -0.375183D+01 -0.343760D+01  0.101758D+02  0.195482D+01
      4  -0.122462D+02  0.827515D+01 -0.647397D+01  0.294808D+02  0.166954D+02
      5   0.738190D+01 -0.264847D+02  0.121284D+02  0.159473D+02 -0.188321D+02
      6   0.681668D+00 -0.368807D+00  0.564671D+01 -0.676567D+01  0.159714D+01
                61            62            63            64            65 
      1   0.429349D+01  0.285656D+01 -0.103536D+02 -0.506543D+02  0.269925D+01
      2   0.275794D+01 -0.449763D+01  0.140037D+02  0.244155D+02 -0.304428D+00
      3  -0.705143D+01  0.164108D+01 -0.365011D+01  0.262389D+02 -0.239482D+01
      4   0.936602D+01  0.141254D+02 -0.684862D+01  0.472857D+01  0.128747D+02
      5  -0.466087D+02 -0.764365D+01  0.661266D+01 -0.220721D+02 -0.505526D+01
      6  -0.463934D+01 -0.125490D+02  0.724825D+01 -0.212200D+01  0.639384D+01
                66            67            68            69            70 
      1  -0.853492D+01  0.359748D+00  0.739896D+01  0.101828D+00 -0.610586D+01
      2   0.129880D+01  0.991935D+00  0.334833D+01 -0.883253D+00 -0.644039D+01
      3   0.723611D+01 -0.135168D+01 -0.107473D+02  0.781424D+00  0.125462D+02
      4  -0.569900D+01  0.109432D+02 -0.188684D+02 -0.628487D+01 -0.759551D+01
      5   0.135656D+02 -0.688024D+01 -0.338488D+01  0.218699D-01  0.275057D+02
      6  -0.312785D+01  0.346369D+01 -0.156626D+02 -0.273892D+01 -0.952078D+00
                71            72            73            74            75 
      1  -0.858284D+00 -0.835595D+01 -0.575348D+02  0.885925D+01  0.138965D+02
      2   0.191406D+01 -0.194074D+02  0.322745D+02 -0.289596D+01  0.289260D+01
      3  -0.105578D+01  0.277634D+02  0.252603D+02 -0.596329D+01 -0.167891D+02
      4  -0.125281D+02 -0.373362D+01  0.110932D+02  0.101787D+02 -0.561234D+01
      5  -0.364232D+01  0.168099D+02  0.171739D+02 -0.832591D+01  0.250916D+02
      6   0.389430D+01 -0.529372D+01 -0.712292D+01 -0.415756D+01  0.300571D+01
                76            77            78            79            80 
      1   0.169348D+02  0.791565D+01  0.151386D+00 -0.323568D+00  0.116399D+01
      2  -0.122797D+02 -0.159075D+02  0.675893D+01  0.730975D+01  0.108580D+00
      3  -0.465510D+01  0.799186D+01 -0.691031D+01 -0.698618D+01 -0.127257D+01
      4   0.700719D+01 -0.243186D+02 -0.108932D+02 -0.979209D+01 -0.102828D+02
      5  -0.144792D+02 -0.127162D+02  0.202825D+02  0.246972D+02  0.106343D+02
      6  -0.437547D+01  0.767923D+01  0.592934D+01  0.469859D+01  0.659110D+01
                81            82            83            84            85 
      1   0.287240D+02 -0.132571D+01  0.240826D+01  0.337054D+01  0.821131D+01
      2  -0.164848D+00  0.174693D+01 -0.139955D+01 -0.406044D+00 -0.522188D+01
      3  -0.285591D+02 -0.421224D+00 -0.100871D+01 -0.296450D+01 -0.298943D+01
      4   0.133765D+02  0.141698D+01 -0.545620D+01 -0.212585D+00  0.176810D+01
      5   0.703139D+01  0.188602D+00  0.832695D+00 -0.291872D+01  0.564128D+01
      6  -0.119950D+02  0.208115D+01 -0.366010D+01 -0.218874D+00 -0.494712D-01
                86            87            88            89            90 
      1  -0.104042D+02 -0.446739D+01  0.287478D+01 -0.217929D+01 -0.467803D+01
      2   0.527448D+01  0.713346D-01 -0.196752D+01 -0.267411D+00 -0.150007D+01
      3   0.512973D+01  0.439605D+01 -0.907264D+00  0.244670D+01  0.617811D+01
      4   0.189322D+02  0.118209D+02  0.185698D+01  0.130927D+02  0.376571D+01
      5   0.935862D+01  0.887502D+01  0.439241D+01  0.385056D+01  0.972869D+01
      6   0.155906D+02  0.122587D+02  0.349550D+00  0.114879D+02  0.363137D+01
                91            92            93            94            95 
      1   0.338442D+01 -0.320950D+01 -0.884395D+00 -0.246211D+01 -0.112548D+02
      2   0.259857D+01 -0.351063D+00  0.232235D+00 -0.302294D+01  0.262207D+02
      3  -0.598299D+01  0.356056D+01  0.652160D+00  0.548505D+01 -0.149659D+02
      4  -0.724380D+01  0.126760D+02  0.158217D+01  0.127617D+02 -0.325335D+02
      5  -0.212697D+01  0.143430D+01  0.678734D+01  0.109391D+01 -0.637417D+01
      6   0.193020D+01 -0.139122D+01  0.983980D-01 -0.149320D+01  0.834355D+01
                96            97            98            99           100 
      1  -0.249978D+01 -0.335528D+00 -0.207440D+01 -0.290137D+01  0.508042D+01
      2   0.510218D+01 -0.247496D+00  0.284329D+01  0.230028D+01 -0.321867D+00
      3  -0.260240D+01  0.583025D+00 -0.768889D+00  0.601085D+00 -0.475855D+01
      4  -0.711027D+01  0.157951D+01 -0.633830D+01 -0.500927D+01  0.259384D+01
      5  -0.645254D+01  0.630059D+01 -0.428563D+01 -0.374659D+01 -0.125123D+01
      6   0.568562D+01 -0.917091D+00  0.938172D+01  0.313611D+01 -0.210135D+00
               101           102           103           104           105 
      1   0.348104D+01 -0.252753D+01  0.635906D+01 -0.112950D+02  0.128028D+01
      2  -0.178796D+01  0.946146D-01 -0.251989D+01  0.244506D+02  0.195148D+01
      3  -0.169308D+01  0.243291D+01 -0.383917D+01 -0.131556D+02 -0.323176D+01
      4   0.240464D+01  0.800100D+00  0.794943D+01  0.337337D+02 -0.582248D+00
      5  -0.197134D+00 -0.159362D+01 -0.448870D+01  0.351888D+00  0.704978D+01
      6   0.503032D+00 -0.130317D+01 -0.157743D+01 -0.145345D+02  0.448328D+01
               106           107           108           109           110 
      1   0.200776D+01  0.139960D+01 -0.450768D+01 -0.184269D+01 -0.170714D+01
      2  -0.109496D+01  0.205562D+01  0.177987D+01 -0.299288D+01  0.303501D+00
      3  -0.912794D+00 -0.345522D+01  0.272780D+01  0.483557D+01  0.140364D+01
      4   0.300744D+01  0.553867D+01  0.255266D+01 -0.176033D+01 -0.177566D+01
      5  -0.523382D+00  0.299769D+01 -0.436279D+00 -0.110693D+01  0.101657D+01
      6   0.101315D-01  0.373438D+01  0.500566D+00  0.783011D+00  0.260656D+01
               111           112           113           114           115 
      1  -0.130391D+02 -0.325815D+01 -0.539986D+01 -0.414357D+01 -0.950584D+01
      2  -0.245351D+01  0.205111D+01  0.120623D+01 -0.250255D+01  0.257757D+01
      3   0.154926D+02  0.120704D+01  0.419363D+01  0.664612D+01  0.692827D+01
      4  -0.568496D+00  0.560762D+00 -0.664073D+00 -0.389755D+01 -0.180167D+01
      5  -0.513365D+01  0.268499D+01 -0.274167D+01 -0.781645D+01  0.593621D+01
      6   0.355697D+00  0.797149D+00  0.148467D+01  0.866909D+01 -0.242647D+00
               116           117           118           119           120 
      1  -0.124512D+01 -0.321264D+02  0.848907D+02 -0.631183D+01 -0.897812D+01
      2  -0.149306D+01 -0.177617D+02 -0.477775D+02  0.364145D+01  0.838817D+01
      3   0.273818D+01  0.498881D+02 -0.371133D+02  0.267039D+01  0.589955D+00
      4  -0.468280D+01 -0.303932D+01 -0.180711D+01  0.103638D+02  0.834093D-01
      5  -0.832888D+00 -0.369892D+02 -0.338905D+02  0.172629D+01  0.150098D+02
      6   0.661502D+01 -0.145499D+00  0.210745D+01 -0.354726D+01  0.439725D+00
               121           122           123           124           125 
      1  -0.138579D+02  0.681806D+01  0.968979D+00  0.921794D+00  0.444238D+00
      2   0.773641D+01 -0.135018D+01 -0.228536D+01  0.234358D+01 -0.598553D+00
      3   0.612152D+01 -0.546788D+01  0.131638D+01 -0.326537D+01  0.154315D+00
      4   0.114411D+02 -0.144670D+01 -0.129101D+01  0.120912D+01  0.534046D+00
      5   0.698124D+01 -0.259868D+01 -0.552030D+01  0.114268D+02 -0.164318D+01
      6  -0.347423D+01  0.650517D+00  0.131412D+01  0.213114D+00  0.769172D+00
               126           127           128           129           130 
      1   0.392771D+01 -0.548901D+01  0.899873D+01  0.906628D+00  0.800498D+01
      2  -0.553404D+01  0.738216D+01 -0.115191D+02 -0.811445D+00 -0.101514D+02
      3   0.160633D+01 -0.189315D+01  0.252041D+01 -0.951827D-01  0.214646D+01
      4  -0.161266D+01 -0.389943D+01  0.761793D+01  0.630187D+00  0.509501D+01
      5  -0.600609D+01 -0.344830D+00  0.659322D+00  0.143911D+01  0.533622D+00
      6   0.477417D+00  0.994042D+00 -0.130223D+01 -0.156423D+01 -0.127672D+01
               131           132           133           134           135 
      1  -0.358764D+02 -0.315761D+01  0.801554D+00 -0.302713D+01 -0.128557D+01
      2   0.491220D+02  0.314481D+01 -0.125172D+01  0.402499D+01  0.213634D+01
      3  -0.132457D+02  0.128004D-01  0.450166D+00 -0.997860D+00 -0.850770D+00
      4   0.109963D+01  0.244694D+00  0.423970D+00  0.382436D-01 -0.113314D+01
      5   0.269165D+00 -0.342808D+00  0.647777D+00 -0.522248D+00 -0.308804D+00
      6   0.541537D+01  0.643151D+01 -0.197939D+00  0.204589D+01  0.819324D+00
               136           137           138           139           140 
      1   0.233329D+02  0.149448D+02  0.136355D+01  0.941099D+01  0.401165D+01
      2  -0.410303D+01  0.781999D+00 -0.442631D+00  0.728866D+01  0.174978D+02
      3  -0.192299D+02 -0.157268D+02 -0.920915D+00 -0.166996D+02 -0.215094D+02
      4   0.352878D+02  0.320112D+02  0.232897D+01  0.357971D+02  0.461030D+02
      5   0.360445D+01  0.265031D+01  0.570405D+01  0.363954D+01  0.424422D+01
      6   0.154861D+01  0.133503D+01  0.280345D+01  0.238645D+01  0.329683D+01
               141           142           143           144           145 
      1   0.379600D+00  0.811214D+00  0.186755D+00 -0.505078D-01  0.101969D+03
      2   0.521955D+00  0.619656D+00  0.147146D+01  0.101937D+01 -0.571224D+02
      3  -0.901555D+00 -0.143087D+01 -0.165822D+01 -0.968863D+00 -0.448469D+02
      4   0.376429D+01  0.341621D+01  0.405567D+01  0.172721D+01 -0.168969D+02
      5   0.458503D+01  0.126014D+01  0.135273D+01  0.575205D+00 -0.198459D+01
      6   0.537268D+01  0.112558D+01  0.161504D+01  0.840175D+00 -0.112043D+01
               146           147           148           149           150 
      1  -0.104710D+02 -0.171507D+01 -0.957732D+01  0.103734D+02  0.891955D+00
      2   0.516119D+01  0.108505D+01  0.399994D+01 -0.471668D+01 -0.782374D+00
      3   0.530981D+01  0.630024D+00  0.557738D+01 -0.565669D+01 -0.109582D+00
      4   0.100390D+02  0.180377D+00  0.173579D+02 -0.542258D+01 -0.510532D+00
      5   0.946153D-01  0.902867D+01  0.172412D+01 -0.422192D+00 -0.113413D+01
      6   0.266021D-01 -0.820119D+00 -0.182496D+00 -0.106020D+00  0.178262D+01
               151           152           153           154           155 
      1  -0.154306D+01  0.963278D+00  0.220022D+01  0.502159D+01 -0.450544D+01
      2   0.759858D+00 -0.531882D+00 -0.105668D+01  0.434917D+01 -0.613332D+01
      3   0.783203D+00 -0.431396D+00 -0.114354D+01 -0.937076D+01  0.106388D+02
      4   0.180525D+01 -0.605455D+00 -0.372184D+00 -0.188905D+02  0.245178D+02
      5   0.965402D+00 -0.223137D+00 -0.315974D+00 -0.183546D+01  0.206193D+01
      6  -0.525344D-01  0.531924D+00  0.219317D+00  0.143570D+01 -0.156200D+01
               156           157           158           159           160 
      1  -0.521000D+00  0.157066D+01 -0.177306D+02 -0.170917D+01  0.131765D+00
      2  -0.276142D+00 -0.133079D+02  0.427458D+02  0.298517D+01 -0.114474D+01
      3   0.797143D+00  0.117372D+02 -0.250152D+02 -0.127600D+01  0.101297D+01
      4   0.224552D+01  0.254221D+02 -0.501618D+02 -0.482000D+01  0.250914D+01
      5   0.368481D+01  0.243761D+01 -0.444917D+01 -0.422638D+01  0.104377D+01
      6  -0.198750D+01 -0.252654D+01  0.611520D+01  0.700015D+01 -0.120942D+01
               161           162           163           164           165 
      1  -0.170799D+01 -0.108783D+01 -0.427609D+01 -0.669708D+01 -0.829968D+00
      2   0.386583D+01  0.206405D+01  0.598350D+01  0.954523D+01  0.752522D+00
      3  -0.215785D+01 -0.976226D+00 -0.170741D+01 -0.284815D+01  0.774460D-01
      4  -0.512745D+01 -0.162186D+01  0.875545D+01  0.837771D+01  0.456048D+00
      5  -0.916990D+00 -0.613139D+00 -0.647937D-01  0.358045D+00  0.222009D+01
      6   0.218730D+01  0.119210D+01  0.590012D+00  0.115416D+01  0.171090D+01
               166           167           168           169           170 
      1  -0.880300D+01 -0.209313D+02 -0.216518D+01 -0.762515D+00 -0.174583D+01
      2   0.118297D+02  0.281568D+02  0.180597D+01  0.134108D+01  0.232919D+01
      3  -0.302674D+01 -0.722555D+01  0.359201D+00 -0.578567D+00 -0.583355D+00
      4   0.846456D+01  0.881442D+01  0.515142D+00  0.645830D+00  0.733186D+00
      5   0.400171D+00  0.514130D+00  0.172823D+01  0.686123D+00  0.491270D+00
      6   0.135843D+01  0.288790D+01  0.453954D+01  0.197260D+00  0.140037D+01
               171           172           173           174           175 
      1  -0.176515D+00  0.805556D+02 -0.229980D+01  0.132359D+02 -0.826296D+01
      2   0.101169D+01 -0.453542D+02  0.985609D+00 -0.100189D+02  0.209770D+01
      3  -0.835177D+00 -0.352014D+02  0.131420D+01 -0.321698D+01  0.616526D+01
      4   0.184945D+01 -0.443191D+01  0.850568D+01  0.787822D+00  0.763610D+01
      5  -0.727609D-02  0.401631D+02  0.735373D+00  0.164900D+02 -0.204870D+00
      6   0.496932D+00 -0.816234D+00  0.265298D+01  0.575718D+00  0.624281D+00
               176           177           178           179           180 
      1   0.221554D+01  0.310162D+01  0.627199D+01  0.390416D+01  0.190918D+01
      2  -0.969427D+00 -0.163476D+01 -0.508701D+01 -0.101637D+01 -0.321992D+01
      3  -0.124611D+01 -0.146686D+01 -0.118498D+01 -0.288780D+01  0.131073D+01
      4  -0.223913D+01  0.250903D+01  0.376331D+01  0.173150D+01 -0.943188D+00
      5   0.289093D+01 -0.158056D+01  0.954366D+01  0.299982D+00  0.590576D+01
      6  -0.646744D+00  0.229292D+01  0.161458D+01  0.198285D+01 -0.478289D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:16:36 2021, MaxMem=  5368709120 cpu:           13252.8 elap:            1657.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.31504 -10.21821 -10.19340 -10.19014 -10.18911
 Alpha  occ. eigenvalues --  -10.18841 -10.18816 -10.18666 -10.17757  -0.89887
 Alpha  occ. eigenvalues --   -0.85791  -0.76904  -0.75210  -0.72368  -0.63825
 Alpha  occ. eigenvalues --   -0.61143  -0.57806  -0.52489  -0.49326  -0.46229
 Alpha  occ. eigenvalues --   -0.45498  -0.44364  -0.42676  -0.41739  -0.41127
 Alpha  occ. eigenvalues --   -0.38742  -0.36702  -0.36210  -0.34017  -0.33539
 Alpha  occ. eigenvalues --   -0.25901  -0.25344  -0.24520
 Alpha virt. eigenvalues --   -0.01702  -0.01562  -0.01192  -0.00080   0.00309
 Alpha virt. eigenvalues --    0.01243   0.02076   0.02280   0.03388   0.04385
 Alpha virt. eigenvalues --    0.04692   0.04955   0.06108   0.06491   0.07730
 Alpha virt. eigenvalues --    0.07858   0.08209   0.08793   0.09242   0.09745
 Alpha virt. eigenvalues --    0.09908   0.10194   0.10577   0.10813   0.10895
 Alpha virt. eigenvalues --    0.11846   0.11853   0.12108   0.12428   0.12917
 Alpha virt. eigenvalues --    0.13356   0.13562   0.14428   0.14870   0.15602
 Alpha virt. eigenvalues --    0.16038   0.16619   0.17156   0.17808   0.18643
 Alpha virt. eigenvalues --    0.19294   0.19948   0.20789   0.21319   0.22059
 Alpha virt. eigenvalues --    0.22269   0.23223   0.23479   0.24133   0.24278
 Alpha virt. eigenvalues --    0.24698   0.25322   0.25810   0.26242   0.26418
 Alpha virt. eigenvalues --    0.26933   0.27533   0.27685   0.28343   0.29532
 Alpha virt. eigenvalues --    0.30079   0.30854   0.31450   0.31758   0.32742
 Alpha virt. eigenvalues --    0.33369   0.33498   0.34279   0.35134   0.35529
 Alpha virt. eigenvalues --    0.35919   0.36447   0.38063   0.38413   0.39353
 Alpha virt. eigenvalues --    0.39467   0.41248   0.41418   0.42282   0.42699
 Alpha virt. eigenvalues --    0.43768   0.44224   0.44844   0.45259   0.46078
 Alpha virt. eigenvalues --    0.46482   0.47567   0.47961   0.49071   0.49487
 Alpha virt. eigenvalues --    0.50182   0.50642   0.51975   0.52643   0.53299
 Alpha virt. eigenvalues --    0.54095   0.55122   0.55818   0.55963   0.56824
 Alpha virt. eigenvalues --    0.57017   0.57696   0.58567   0.59133   0.59445
 Alpha virt. eigenvalues --    0.59809   0.60022   0.60699   0.61473   0.63059
 Alpha virt. eigenvalues --    0.63934   0.64299   0.64661   0.65397   0.65749
 Alpha virt. eigenvalues --    0.66154   0.66622   0.66732   0.68072   0.68356
 Alpha virt. eigenvalues --    0.69982   0.70892   0.71786   0.73579   0.74133
 Alpha virt. eigenvalues --    0.74921   0.75389   0.75536   0.76489   0.77289
 Alpha virt. eigenvalues --    0.77891   0.78191   0.79509   0.79752   0.81031
 Alpha virt. eigenvalues --    0.81321   0.82691   0.83624   0.85114   0.85520
 Alpha virt. eigenvalues --    0.87103   0.88638   0.90795   0.91784   0.93293
 Alpha virt. eigenvalues --    0.93910   0.94867   0.96847   0.98118   0.98666
 Alpha virt. eigenvalues --    1.00055   1.00679   1.03935   1.05523   1.06107
 Alpha virt. eigenvalues --    1.07554   1.08457   1.10852   1.12394   1.14126
 Alpha virt. eigenvalues --    1.18514   1.21039   1.26528   1.27042   1.30003
 Alpha virt. eigenvalues --    1.31491   1.32081   1.33887   1.34294   1.36620
 Alpha virt. eigenvalues --    1.36690   1.37371   1.38904   1.40444   1.42050
 Alpha virt. eigenvalues --    1.42510   1.44094   1.45084   1.46952   1.48153
 Alpha virt. eigenvalues --    1.49688   1.51317   1.52112   1.53650   1.54600
 Alpha virt. eigenvalues --    1.55369   1.56869   1.57947   1.60095   1.60643
 Alpha virt. eigenvalues --    1.64019   1.64957   1.65293   1.68100   1.68423
 Alpha virt. eigenvalues --    1.69932   1.70402   1.71326   1.72198   1.73546
 Alpha virt. eigenvalues --    1.74148   1.75838   1.76917   1.78018   1.79924
 Alpha virt. eigenvalues --    1.82183   1.83977   1.85163   1.85508   1.86961
 Alpha virt. eigenvalues --    1.88423   1.89233   1.89505   1.92349   1.92887
 Alpha virt. eigenvalues --    1.97667   1.98083   1.98866   1.99389   2.01118
 Alpha virt. eigenvalues --    2.02399   2.04022   2.05753   2.06234   2.09242
 Alpha virt. eigenvalues --    2.10813   2.12130   2.12703   2.13119   2.15320
 Alpha virt. eigenvalues --    2.15870   2.16333   2.18768   2.21236   2.24543
 Alpha virt. eigenvalues --    2.25818   2.28548   2.29865   2.31501   2.35904
 Alpha virt. eigenvalues --    2.36750   2.39258   2.41033   2.44084   2.47954
 Alpha virt. eigenvalues --    2.49350   2.50561   2.53201   2.54227   2.55365
 Alpha virt. eigenvalues --    2.58085   2.62132   2.65382   2.66696   2.70061
 Alpha virt. eigenvalues --    2.72927   2.75295   2.76532   2.80345   2.82455
 Alpha virt. eigenvalues --    2.87442   2.92457   2.97304   2.99879   3.05805
 Alpha virt. eigenvalues --    3.08969   3.10818   3.25538   3.36654   3.44910
 Alpha virt. eigenvalues --    3.53926   3.68435   4.57309
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   15.936934  -7.657620   5.368617  -6.803240   5.920200  -6.536599
     2  C   -7.657620  22.194966  -9.482245   3.357105  -5.870010   5.142919
     3  C    5.368617  -9.482245  22.006082 -11.535978   4.788074  -5.988078
     4  C   -6.803240   3.357105 -11.535978  25.723273  -7.580243   6.087651
     5  C    5.920200  -5.870010   4.788074  -7.580243  15.462305  -6.567045
     6  C   -6.536599   5.142919  -5.988078   6.087651  -6.567045  14.008812
     7  C   -0.477728  -0.451921  -2.922198  -1.556652  -0.161969   0.140839
     8  N    0.052624  -0.020096   0.043423  -0.115989   0.026802  -0.028370
     9  C    0.329038  -0.631607   0.566195  -0.518504   0.207385  -0.174682
    10  H    0.008544   0.088027   0.007385   0.036723  -0.008420   0.010332
    11  H   -0.071376   0.060502   0.578002   0.366757  -0.096159   0.058303
    12  H   -0.039929  -0.184327   0.106512   0.087653   0.029649  -0.024527
    13  H   -0.023920   0.049021  -0.368231   0.094279  -0.005221   0.010695
    14  H    0.040357  -0.004826   0.438663  -0.150726   0.007186  -0.008598
    15  H    0.225489  -0.237261   1.215526  -3.087777   0.801590  -0.337391
    16  H   -0.424127   0.248402  -0.400769   1.150052  -2.025768   0.802063
    17  H    0.884978  -0.211254   0.191316  -0.309030   0.834280  -1.954753
    18  H   -2.153294   1.359096  -0.494877   0.291549  -0.466284   0.816944
    19  H    0.994625  -2.690230   0.205286  -0.315238   0.147555  -0.179110
    20  H    0.000824  -0.036498   0.176069  -0.007029   0.002447  -0.001255
               7          8          9         10         11         12
     1  C   -0.477728   0.052624   0.329038   0.008544  -0.071376  -0.039929
     2  C   -0.451921  -0.020096  -0.631607   0.088027   0.060502  -0.184327
     3  C   -2.922198   0.043423   0.566195   0.007385   0.578002   0.106512
     4  C   -1.556652  -0.115989  -0.518504   0.036723   0.366757   0.087653
     5  C   -0.161969   0.026802   0.207385  -0.008420  -0.096159   0.029649
     6  C    0.140839  -0.028370  -0.174682   0.010332   0.058303  -0.024527
     7  C   13.911635  -0.210147  -0.276621  -0.407717  -2.228132  -0.308496
     8  N   -0.210147   6.550617  -0.000722   0.355199   0.077751   0.040340
     9  C   -0.276621  -0.000722   4.606481   0.038353   0.227094   0.447545
    10  H   -0.407717   0.355199   0.038353   0.983240   0.072608   0.043179
    11  H   -2.228132   0.077751   0.227094   0.072608   2.814992   0.109779
    12  H   -0.308496   0.040340   0.447545   0.043179   0.109779   1.735142
    13  H    0.248149  -0.021774   0.021988   0.003573  -0.067314  -0.146435
    14  H   -0.063551  -0.032503   0.015534  -0.012489  -0.020185  -0.495527
    15  H    0.274252   0.030958   0.041277   0.011888  -0.173248   0.007184
    16  H    0.031539   0.000127   0.004893  -0.000989  -0.001473  -0.000738
    17  H   -0.018726  -0.000912  -0.000797   0.000975   0.002250   0.000028
    18  H    0.032558  -0.000660  -0.004257  -0.002260   0.002388   0.003988
    19  H    0.410202  -0.065007   0.053013  -0.063375  -0.009121  -0.140596
    20  H   -0.108072   0.273430  -0.071318  -0.096065  -0.016989  -0.008027
              13         14         15         16         17         18
     1  C   -0.023920   0.040357   0.225489  -0.424127   0.884978  -2.153294
     2  C    0.049021  -0.004826  -0.237261   0.248402  -0.211254   1.359096
     3  C   -0.368231   0.438663   1.215526  -0.400769   0.191316  -0.494877
     4  C    0.094279  -0.150726  -3.087777   1.150052  -0.309030   0.291549
     5  C   -0.005221   0.007186   0.801590  -2.025768   0.834280  -0.466284
     6  C    0.010695  -0.008598  -0.337391   0.802063  -1.954753   0.816944
     7  C    0.248149  -0.063551   0.274252   0.031539  -0.018726   0.032558
     8  N   -0.021774  -0.032503   0.030958   0.000127  -0.000912  -0.000660
     9  C    0.021988   0.015534   0.041277   0.004893  -0.000797  -0.004257
    10  H    0.003573  -0.012489   0.011888  -0.000989   0.000975  -0.002260
    11  H   -0.067314  -0.020185  -0.173248  -0.001473   0.002250   0.002388
    12  H   -0.146435  -0.495527   0.007184  -0.000738   0.000028   0.003988
    13  H    1.894612  -0.379775   0.015049  -0.001871   0.000193  -0.002041
    14  H   -0.379775   2.001683  -0.006320   0.001345   0.000004   0.000390
    15  H    0.015049  -0.006320   3.535372  -0.209617  -0.033966   0.021983
    16  H   -0.001871   0.001345  -0.209617   2.761250  -0.143043  -0.037564
    17  H    0.000193   0.000004  -0.033966  -0.143043   2.713598  -0.150159
    18  H   -0.002041   0.000390   0.021983  -0.037564  -0.150159   2.843712
    19  H   -0.020931   0.021963  -0.061913   0.021108  -0.029679  -0.264159
    20  H    0.006414  -0.017609  -0.001358   0.000279  -0.000188  -0.000046
              19         20
     1  C    0.994625   0.000824
     2  C   -2.690230  -0.036498
     3  C    0.205286   0.176069
     4  C   -0.315238  -0.007029
     5  C    0.147555   0.002447
     6  C   -0.179110  -0.001255
     7  C    0.410202  -0.108072
     8  N   -0.065007   0.273430
     9  C    0.053013  -0.071318
    10  H   -0.063375  -0.096065
    11  H   -0.009121  -0.016989
    12  H   -0.140596  -0.008027
    13  H   -0.020931   0.006414
    14  H    0.021963  -0.017609
    15  H   -0.061913  -0.001358
    16  H    0.021108   0.000279
    17  H   -0.029679  -0.000188
    18  H   -0.264159  -0.000046
    19  H    4.072925   0.007006
    20  H    0.007006   1.038631
 Mulliken charges:
               1
     1  C    0.425603
     2  C    0.977859
     3  C    1.501226
     4  C    0.785363
     5  C    0.553649
     6  C    0.721848
     7  C    0.142757
     8  N    0.044909
     9  C    1.119711
    10  H   -0.068712
    11  H   -0.686432
    12  H   -0.262399
    13  H   -0.306459
    14  H   -0.335017
    15  H   -1.031715
    16  H   -0.775098
    17  H   -0.775115
    18  H   -0.797006
    19  H   -1.094325
    20  H   -0.140645
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.371404
     2  C   -0.116466
     3  C    1.501226
     4  C   -0.246352
     5  C   -0.221449
     6  C   -0.053267
     7  C   -0.543675
     8  N   -0.164448
     9  C    0.215836
 Electronic spatial extent (au):  <R**2>=           1291.7951
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.6031    Y=              0.7451    Z=             -0.8038  Tot=              1.2510
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -49.0888   YY=            -52.1748   ZZ=            -61.1190
   XY=              1.1423   XZ=             -0.7226   YZ=              3.2581
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              5.0388   YY=              1.9527   ZZ=             -6.9914
   XY=              1.1423   XZ=             -0.7226   YZ=              3.2581
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              9.6938  YYY=              0.1117  ZZZ=             -2.7060  XYY=             -2.1576
  XXY=             -0.2467  XXZ=              3.7612  XZZ=              4.1548  YZZ=              4.5086
  YYZ=              0.5177  XYZ=              3.8092
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1116.9691 YYYY=           -331.8280 ZZZZ=           -234.5505 XXXY=             -8.0800
 XXXZ=             24.0729 YYYX=              0.1569 YYYZ=              7.6024 ZZZX=             -0.6571
 ZZZY=             11.0927 XXYY=           -254.6038 XXZZ=           -258.9127 YYZZ=           -104.5011
 XXYZ=             10.8975 YYXZ=              0.8448 ZZXY=              8.2273
 N-N= 4.252126304344D+02 E-N=-1.699688193175D+03  KE= 3.640870708785D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:16:37 2021, MaxMem=  5368709120 cpu:               2.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 2.45672457D-01 3.06186424D-01-2.90782300D-01
 Polarizability= 1.26026985D+02 2.33992042D-01 1.00324600D+02
                -4.75344164D-01 3.14264573D+00 7.08488249D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3648    0.3657        0.5125    0.5085
 2     -0.3648   -0.3657       -1.1391   -1.1389      -13.9957  -13.9912
 3     -0.5125   -0.5085       28.6903   28.6894        1.1299    1.1389
 4      1.1391    1.1389       -0.0000    0.0000       -0.5074   -0.5085
 5    -14.6946  -14.6982        0.5074    0.5085        0.3634    0.3657
 6     -1.1299   -1.1389       -0.3634   -0.3657       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0970   -1.0970        1.5255    1.5255
 2      3.4168    3.4168       -0.0000    0.0000        1.5255    1.5255
 3      3.4168    3.4168       -1.0970   -1.0970       -0.0000    0.0000
 4     -1.0970   -1.0970       -3.4168   -3.4168      -41.9735  -41.9735
 5     -1.5255   -1.5255       86.0682   86.0682        3.4168    3.4168
 6    -44.0946  -44.0946        1.5255    1.5255        1.0970    1.0970
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0640    0.0000       -1.3702   -1.4627       -2.0490   -2.0340
 2      1.4857    1.4627        4.4729    4.5558       55.8956   55.9647
 3      2.0399    2.0340     -114.4680 -114.7576       -4.3905   -4.5558
 4     -4.5104   -4.5558       -0.0218    0.0000        1.9476    2.0340
 5     58.8343   58.7929       -1.8849   -2.0340       -1.3714   -1.4627
 6      4.4428    4.5558        1.5238    1.4627        0.0098    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0091    0.0000       -6.8998   -7.0041        0.1864    0.0511
 2      7.0845    7.0041       55.5998   56.4590       20.3113   20.0034
 3     -0.2471   -0.0511       12.2753   12.1264      -56.6983  -56.4590
 4    -56.4036  -56.4590        0.1535    0.0000       -0.3324   -0.0511
 5    -32.1987  -32.1299        0.2181    0.0511       -6.7398   -7.0041
 6     56.5805   56.4590        6.8172    7.0041        0.5363    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -38.7779  -38.9250       -8.4367   -8.1703       -3.2865   -3.2353
 2   -130.8193 -130.7115       -8.4749   -8.4183       -3.4978   -3.2353
 3   -130.8680 -130.7115       -8.2840   -8.1703       -1.0776   -1.0063
 4      0.0869    0.2480       91.3587   91.7865       27.6065   28.0156
 5      2.2226    2.2290       23.1601   23.0275      -92.3262  -91.7865
 6    -50.8581  -51.0431       -1.9981   -2.2290       -0.0144   -0.2480
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.6227   -0.0005   -0.0004    0.0002    0.7916    7.0459
 Low frequencies ---   27.7893  128.7779  196.2761
 Diagonal vibrational polarizability:
       23.8111759      14.5190299      34.1253698
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     27.7771               128.7775               196.2758
 Red. masses --      3.3013                 3.4381                 1.2637
 Frc consts  --      0.0015                 0.0336                 0.0287
 IR Inten    --      0.7435                 0.9047                30.2202
 RamAct Fr= 1--      4.1556                 4.9214                 0.6285
  Dep-P Fr= 1--      0.7487                 0.7499                 0.5492
  Dep-U Fr= 1--      0.8563                 0.8571                 0.7090
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0024
 Beta2  Fr= 1--      0.5930                 0.7030                 0.0743
 AlphaG Fr= 1--      0.0001                -0.0001                 0.0143
 Gamma2 Fr= 1--      0.7282                 0.0330                 0.3946
 Delta2 Fr= 1--      0.4948                 0.0162                 0.2205
 Raman1 Fr= 1--      16.622                 19.686                  2.514
 ROA1   Fr= 1--      85.739                  3.691                 44.932
 CID1   Fr= 1--       5.158                  0.187                 17.872
 Raman2 Fr= 1--       7.117                  8.436                  0.891
 ROA2   Fr= 1--      13.517                  0.663                  7.706
 CID2   Fr= 1--       1.899                  0.079                  8.646
 Raman3 Fr= 1--      14.233                 16.873                  1.783
 ROA3   Fr= 1--      85.739                  3.691                 44.932
 CID3   Fr= 1--       6.024                  0.219                 25.207
 RC180  Fr= 1--       0.713                  0.714                  0.418
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.13    -0.01   0.01  -0.10     0.06   0.01  -0.01
     2   6     0.01  -0.03   0.18    -0.01  -0.00   0.10     0.05  -0.05   0.01
     3   6     0.00  -0.02   0.06    -0.00  -0.01   0.18     0.01  -0.06   0.00
     4   6    -0.01   0.00  -0.11    -0.00  -0.01   0.15    -0.02  -0.04   0.01
     5   6    -0.01   0.02  -0.17    -0.00   0.01  -0.04    -0.02   0.02   0.01
     6   6     0.00   0.01  -0.05    -0.01   0.02  -0.21     0.03   0.04  -0.01
     7   6    -0.00  -0.02   0.07    -0.00  -0.00   0.03     0.01  -0.02  -0.01
     8   7     0.05   0.22   0.01     0.21  -0.09  -0.04    -0.01   0.02  -0.01
     9   6    -0.06  -0.18  -0.10    -0.18   0.08  -0.02    -0.05   0.05   0.00
    10   1     0.07   0.27  -0.13     0.29  -0.10   0.05    -0.59  -0.23   0.23
    11   1     0.00  -0.05   0.24    -0.02   0.01  -0.06     0.06  -0.01  -0.04
    12   1    -0.11  -0.16  -0.28    -0.11   0.06   0.10    -0.15   0.03   0.00
    13   1    -0.09  -0.38  -0.04    -0.38   0.19   0.04    -0.02   0.00  -0.00
    14   1    -0.05  -0.14  -0.09    -0.19   0.05  -0.25    -0.03   0.14   0.01
    15   1    -0.02   0.01  -0.21    -0.00  -0.01   0.23    -0.05  -0.05   0.02
    16   1    -0.01   0.04  -0.30    -0.00   0.01  -0.09    -0.05   0.04   0.01
    17   1     0.00   0.02  -0.09    -0.01   0.04  -0.40     0.03   0.07  -0.02
    18   1     0.02  -0.02   0.22    -0.01   0.02  -0.20     0.10   0.02  -0.01
    19   1     0.02  -0.04   0.31    -0.01  -0.00   0.14     0.08  -0.07   0.00
    20   1     0.05   0.22  -0.02     0.20  -0.13  -0.20     0.01   0.65  -0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    240.4039               260.2512               322.2466
 Red. masses --      1.7537                 1.1757                 3.0821
 Frc consts  --      0.0597                 0.0469                 0.1886
 IR Inten    --     16.0102                 1.2512                 2.6252
 RamAct Fr= 1--      0.2598                 0.2309                 1.6554
  Dep-P Fr= 1--      0.3161                 0.3001                 0.3128
  Dep-U Fr= 1--      0.4804                 0.4616                 0.4766
 Alpha2 Fr= 1--      0.0025                 0.0024                 0.0163
 Beta2  Fr= 1--      0.0208                 0.0178                 0.1315
 AlphaG Fr= 1--     -0.0104                -0.0023                -0.0056
 Gamma2 Fr= 1--     -0.1550                -0.0343                -0.2975
 Delta2 Fr= 1--     -0.0580                 0.1198                 0.0177
 Raman1 Fr= 1--       1.039                  0.924                  6.621
 ROA1   Fr= 1--     -16.736                  0.543                -27.997
 CID1   Fr= 1--     -16.102                  0.587                 -4.228
 Raman2 Fr= 1--       0.250                  0.213                  1.578
 ROA2   Fr= 1--      -3.255                 -1.781                 -7.282
 CID2   Fr= 1--     -13.041                 -8.352                 -4.615
 Raman3 Fr= 1--       0.499                  0.426                  3.156
 ROA3   Fr= 1--     -16.736                  0.543                -27.997
 CID3   Fr= 1--     -33.521                  1.272                 -8.872
 RC180  Fr= 1--      -0.039                 -0.077                 -0.047
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.00   0.01     0.04  -0.00  -0.00    -0.04  -0.02   0.01
     2   6    -0.07   0.08   0.03     0.03  -0.03  -0.02    -0.05  -0.09   0.02
     3   6    -0.00   0.10   0.02    -0.00  -0.04  -0.01    -0.04  -0.09  -0.01
     4   6     0.04   0.07   0.01    -0.01  -0.03  -0.03    -0.13  -0.04   0.02
     5   6     0.03  -0.02  -0.01    -0.01   0.00  -0.01    -0.14   0.02   0.01
     6   6    -0.04  -0.04  -0.01     0.02   0.01   0.02    -0.11   0.04  -0.02
     7   6    -0.01   0.01  -0.01    -0.00  -0.01   0.01     0.03  -0.01  -0.04
     8   7     0.06  -0.06  -0.02    -0.03   0.06   0.01     0.17   0.10  -0.10
     9   6     0.09  -0.10  -0.02    -0.02   0.02   0.02     0.20   0.04   0.11
    10   1    -0.36  -0.27   0.24     0.03   0.11  -0.08     0.18   0.13  -0.17
    11   1    -0.13  -0.00  -0.03     0.04  -0.01   0.04     0.07  -0.01  -0.02
    12   1     0.41  -0.08   0.06     0.42   0.00   0.36     0.22   0.03   0.22
    13   1    -0.05   0.06   0.01    -0.40   0.45   0.08     0.44   0.18  -0.02
    14   1     0.03  -0.40  -0.13    -0.11  -0.36  -0.36     0.20  -0.00   0.35
    15   1     0.09   0.09   0.01    -0.03  -0.04  -0.04    -0.21  -0.08   0.02
    16   1     0.08  -0.06  -0.02    -0.03   0.02  -0.00    -0.16   0.04   0.01
    17   1    -0.05  -0.10  -0.03     0.02   0.03   0.05    -0.10   0.09  -0.05
    18   1    -0.15  -0.02   0.01     0.05   0.00   0.00     0.03   0.01   0.01
    19   1    -0.11   0.11   0.03     0.05  -0.05  -0.04    -0.03  -0.10   0.03
    20   1     0.08   0.42  -0.15    -0.03  -0.00   0.04     0.17   0.18  -0.28
                      7                      8                      9
                      A                      A                      A
 Frequencies --    331.5455               414.2349               481.9304
 Red. masses --      3.6202                 2.9440                 2.7876
 Frc consts  --      0.2345                 0.2976                 0.3815
 IR Inten    --      3.9809                 0.0017                 5.5562
 RamAct Fr= 1--      0.1353                 0.0891                 5.8998
  Dep-P Fr= 1--      0.4282                 0.3935                 0.0381
  Dep-U Fr= 1--      0.5996                 0.5647                 0.0735
 Alpha2 Fr= 1--      0.0009                 0.0007                 0.1199
 Beta2  Fr= 1--      0.0135                 0.0084                 0.0723
 AlphaG Fr= 1--      0.0025                 0.0059                 0.0359
 Gamma2 Fr= 1--     -0.0232                 0.2686                 0.1346
 Delta2 Fr= 1--     -0.0717                 0.0182                 0.1734
 Raman1 Fr= 1--       0.541                  0.356                 23.599
 ROA1   Fr= 1--      -4.521                 26.366                 18.474
 CID1   Fr= 1--      -8.353                 73.965                  0.783
 Raman2 Fr= 1--       0.162                  0.101                  0.867
 ROA2   Fr= 1--       0.017                  6.300                  1.844
 CID2   Fr= 1--       0.108                 62.590                  2.126
 Raman3 Fr= 1--       0.325                  0.201                  1.734
 ROA3   Fr= 1--      -4.521                 26.366                 18.474
 CID3   Fr= 1--     -13.930                130.978                 10.651
 RC180  Fr= 1--       0.199                  0.129                 -0.853
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.08    -0.00   0.02  -0.21     0.04   0.03   0.00
     2   6    -0.03   0.02  -0.19     0.00  -0.02   0.21     0.04   0.09   0.00
     3   6    -0.00   0.00   0.01     0.00   0.00   0.00    -0.05   0.06   0.00
     4   6    -0.02   0.03  -0.19     0.00   0.02  -0.21     0.05   0.01   0.00
     5   6    -0.02   0.02  -0.06     0.00  -0.02   0.21     0.08  -0.05  -0.01
     6   6    -0.03  -0.01   0.19     0.00  -0.00  -0.00     0.11  -0.04  -0.00
     7   6     0.02  -0.03   0.14    -0.00  -0.00  -0.00    -0.16  -0.13  -0.03
     8   7     0.23  -0.03   0.08    -0.01   0.00  -0.00    -0.02   0.05  -0.15
     9   6    -0.12  -0.02   0.09     0.00  -0.00  -0.00    -0.09  -0.06   0.19
    10   1     0.14  -0.09   0.20     0.01   0.01  -0.01     0.03   0.14  -0.34
    11   1    -0.00  -0.03   0.14    -0.01  -0.00   0.00    -0.25  -0.15   0.01
    12   1    -0.25  -0.02   0.04     0.00  -0.00   0.01    -0.18  -0.10   0.42
    13   1    -0.16  -0.12   0.13     0.00   0.01  -0.00     0.14   0.15   0.05
    14   1    -0.09   0.12   0.02     0.00  -0.01  -0.00    -0.07   0.02   0.39
    15   1    -0.03   0.04  -0.32     0.00   0.04  -0.45     0.16   0.05   0.01
    16   1    -0.02   0.01  -0.08     0.01  -0.05   0.46     0.07  -0.04  -0.01
    17   1    -0.03  -0.04   0.45     0.00  -0.00   0.00     0.11  -0.06  -0.00
    18   1    -0.03   0.02  -0.13    -0.00   0.04  -0.44    -0.05  -0.01   0.01
    19   1    -0.04   0.04  -0.31     0.00  -0.04   0.46     0.05   0.08   0.00
    20   1     0.23   0.17  -0.17    -0.01  -0.00  -0.00    -0.01   0.14  -0.35
                     10                     11                     12
                      A                      A                      A
 Frequencies --    548.4757               594.3537               639.0507
 Red. masses --      2.9941                 3.0286                 6.3607
 Frc consts  --      0.5307                 0.6304                 1.5305
 IR Inten    --      6.2497                 4.2564                 0.0358
 RamAct Fr= 1--      0.3635                 1.8212                 4.3406
  Dep-P Fr= 1--      0.7487                 0.7499                 0.7226
  Dep-U Fr= 1--      0.8563                 0.8571                 0.8389
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0020
 Beta2  Fr= 1--      0.0519                 0.2602                 0.6069
 AlphaG Fr= 1--      0.0001                -0.0001                 0.0010
 Gamma2 Fr= 1--     -0.2862                 0.3243                 0.0516
 Delta2 Fr= 1--     -0.0900                 0.0300                 0.0124
 Raman1 Fr= 1--       1.454                  7.285                 17.362
 ROA1   Fr= 1--     -30.357                 32.098                  5.354
 CID1   Fr= 1--     -20.876                  4.406                  0.308
 Raman2 Fr= 1--       0.623                  3.122                  7.283
 ROA2   Fr= 1--      -6.149                  7.544                  1.140
 CID2   Fr= 1--      -9.877                  2.417                  0.157
 Raman3 Fr= 1--       1.245                  6.244                 14.566
 ROA3   Fr= 1--     -30.357                 32.098                  5.354
 CID3   Fr= 1--     -24.380                  5.141                  0.368
 RC180  Fr= 1--       0.713                  0.714                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03  -0.12     0.06   0.07   0.05    -0.22   0.27   0.03
     2   6     0.01  -0.01   0.05     0.01   0.02  -0.03    -0.27  -0.17  -0.01
     3   6    -0.05  -0.04   0.26    -0.15  -0.01  -0.07    -0.01  -0.14  -0.01
     4   6    -0.01  -0.06   0.05    -0.03  -0.15  -0.05     0.21  -0.22  -0.02
     5   6     0.00  -0.01  -0.13    -0.01  -0.09   0.04     0.29   0.21   0.02
     6   6     0.06  -0.02   0.18     0.15   0.01  -0.07     0.01   0.14   0.01
     7   6    -0.06   0.08  -0.04    -0.16   0.21   0.06     0.01  -0.03  -0.01
     8   7    -0.07  -0.00  -0.06     0.07  -0.02   0.04    -0.01  -0.01  -0.02
     9   6     0.06   0.03  -0.05     0.00   0.01  -0.00    -0.01  -0.03   0.02
    10   1    -0.05  -0.02   0.01     0.19  -0.10   0.36    -0.02   0.01  -0.07
    11   1    -0.06   0.09  -0.11    -0.13   0.23   0.00     0.04  -0.03  -0.00
    12   1     0.20   0.06  -0.16     0.27   0.09  -0.31    -0.03  -0.04   0.07
    13   1     0.20  -0.01  -0.10     0.07  -0.18   0.01    -0.01   0.01   0.02
    14   1     0.03  -0.13   0.13    -0.06  -0.29   0.15    -0.01  -0.01   0.02
    15   1     0.01  -0.02  -0.25     0.05  -0.13   0.05     0.05  -0.28  -0.04
    16   1    -0.04   0.05  -0.47    -0.15   0.01   0.19     0.17   0.30   0.02
    17   1     0.06  -0.01   0.19     0.15   0.02  -0.05    -0.06  -0.29  -0.03
    18   1     0.01   0.06  -0.47    -0.00   0.03   0.19    -0.06   0.33   0.03
    19   1     0.06  -0.02  -0.26     0.16  -0.11   0.06    -0.15  -0.26  -0.03
    20   1    -0.07  -0.09   0.02     0.06  -0.05  -0.26    -0.01   0.00  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.0918               766.1778               781.6127
 Red. masses --      1.6830                 3.4287                 2.0695
 Frc consts  --      0.5028                 1.1859                 0.7449
 IR Inten    --     40.7430                11.9375                42.2097
 RamAct Fr= 1--      0.0296                14.4614                 2.7376
  Dep-P Fr= 1--      0.7306                 0.0234                 0.1910
  Dep-U Fr= 1--      0.8444                 0.0457                 0.3207
 Alpha2 Fr= 1--      0.0000                 0.3042                 0.0381
 Beta2  Fr= 1--      0.0042                 0.1102                 0.1463
 AlphaG Fr= 1--      0.0001                 0.0329                -0.0187
 Gamma2 Fr= 1--     -0.0389                -0.8767                -0.4743
 Delta2 Fr= 1--      0.0089                -0.4110                -0.2669
 Raman1 Fr= 1--       0.118                 57.845                 10.950
 ROA1   Fr= 1--      -3.445                -97.317                -54.075
 CID1   Fr= 1--     -29.146                 -1.682                 -4.938
 Raman2 Fr= 1--       0.050                  1.322                  1.756
 ROA2   Fr= 1--      -1.004                -17.753                 -9.248
 CID2   Fr= 1--     -20.116                -13.428                 -5.267
 Raman3 Fr= 1--       0.100                  2.644                  3.512
 ROA3   Fr= 1--      -3.445                -97.317                -54.075
 CID3   Fr= 1--     -34.519                -36.805                -15.397
 RC180  Fr= 1--       0.689                 -0.909                 -0.359
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.14    -0.07   0.18   0.02    -0.01   0.03   0.02
     2   6    -0.00  -0.00   0.06    -0.04   0.16   0.05    -0.01   0.04  -0.09
     3   6    -0.01   0.01  -0.09    -0.10   0.02  -0.06    -0.02  -0.02   0.22
     4   6    -0.00  -0.01   0.07    -0.07  -0.12   0.02    -0.01  -0.01  -0.08
     5   6    -0.00   0.01  -0.14    -0.08  -0.14  -0.02    -0.01  -0.03   0.01
     6   6     0.01  -0.01   0.07     0.15  -0.03   0.04     0.03   0.01  -0.13
     7   6    -0.00   0.00   0.00     0.11  -0.15  -0.02     0.03  -0.05  -0.00
     8   7     0.00  -0.00   0.01     0.04  -0.00   0.11    -0.02   0.01  -0.03
     9   6     0.00   0.00  -0.00     0.08   0.02  -0.09     0.03   0.02  -0.05
    10   1     0.02   0.00   0.01    -0.02   0.10  -0.19    -0.09  -0.01  -0.05
    11   1     0.00   0.00   0.01     0.09  -0.17   0.07     0.01  -0.05  -0.01
    12   1    -0.01  -0.00   0.00    -0.19  -0.04   0.15    -0.00   0.00   0.04
    13   1    -0.01   0.00   0.00    -0.03   0.18  -0.08     0.08   0.09  -0.08
    14   1     0.00   0.00  -0.02     0.14   0.33  -0.29     0.04   0.06  -0.01
    15   1     0.00  -0.05   0.51     0.04  -0.07  -0.04     0.00  -0.01  -0.01
    16   1    -0.01  -0.02   0.21    -0.26   0.01  -0.20    -0.04  -0.05   0.51
    17   1     0.01  -0.06   0.56     0.14  -0.03  -0.21     0.03  -0.07   0.55
    18   1    -0.00  -0.02   0.23    -0.30   0.11  -0.18    -0.06  -0.03   0.51
    19   1     0.01  -0.05   0.51     0.03   0.12  -0.02     0.01   0.03  -0.00
    20   1     0.01   0.01  -0.03     0.06   0.13   0.17    -0.02  -0.04   0.17
                     16                     17                     18
                      A                      A                      A
 Frequencies --    840.7909               852.8598               912.8879
 Red. masses --      1.5944                 1.2498                 1.6280
 Frc consts  --      0.6641                 0.5356                 0.7993
 IR Inten    --    133.9720                 0.1428                10.2342
 RamAct Fr= 1--      2.7162                 1.8164                 5.0962
  Dep-P Fr= 1--      0.1529                 0.6909                 0.5398
  Dep-U Fr= 1--      0.2653                 0.8172                 0.7011
 Alpha2 Fr= 1--      0.0417                 0.0019                 0.0206
 Beta2  Fr= 1--      0.1201                 0.2474                 0.5955
 AlphaG Fr= 1--      0.0259                -0.0024                 0.0462
 Gamma2 Fr= 1--     -0.6169                 0.1653                 3.5115
 Delta2 Fr= 1--     -0.6174                 0.0043                 1.8255
 Raman1 Fr= 1--      10.865                  7.266                 20.385
 ROA1   Fr= 1--     -78.979                 16.008                395.520
 CID1   Fr= 1--      -7.269                  2.203                 19.403
 Raman2 Fr= 1--       1.441                  2.969                  7.146
 ROA2   Fr= 1--      -9.866                  3.934                 69.672
 CID2   Fr= 1--      -6.846                  1.325                  9.749
 Raman3 Fr= 1--       2.882                  5.938                 14.293
 ROA3   Fr= 1--     -78.979                 16.008                395.520
 CID3   Fr= 1--     -27.401                  2.696                 27.673
 RC180  Fr= 1--      -0.469                  0.634                  0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.03  -0.00     0.00   0.01  -0.07    -0.02   0.04  -0.00
     2   6     0.00  -0.02  -0.00    -0.00   0.01  -0.08    -0.00   0.02   0.04
     3   6    -0.00  -0.00   0.03     0.00   0.00   0.00     0.03  -0.00  -0.01
     4   6     0.01   0.02  -0.00     0.00  -0.01   0.08    -0.01  -0.03   0.03
     5   6     0.03   0.03   0.00     0.00  -0.01   0.07    -0.04  -0.04  -0.00
     6   6    -0.02   0.00  -0.02     0.00  -0.00   0.00     0.01   0.00  -0.04
     7   6    -0.07  -0.02  -0.03    -0.00   0.00  -0.00     0.11   0.06  -0.00
     8   7    -0.03  -0.07   0.16    -0.00  -0.00   0.00    -0.04  -0.04  -0.07
     9   6     0.02   0.05  -0.06     0.00  -0.00  -0.00    -0.00  -0.01   0.14
    10   1     0.21   0.28  -0.54     0.01   0.00   0.00    -0.00   0.08  -0.34
    11   1    -0.06  -0.01  -0.07    -0.01  -0.00   0.01     0.20   0.11  -0.21
    12   1     0.07   0.06  -0.13    -0.01  -0.00   0.01     0.03   0.06  -0.27
    13   1     0.06   0.03  -0.07     0.00   0.01  -0.00    -0.33  -0.42   0.37
    14   1     0.02  -0.01  -0.03     0.00  -0.00  -0.01    -0.03  -0.11  -0.17
    15   1     0.01   0.02  -0.02    -0.00   0.05  -0.51    -0.01  -0.01  -0.20
    16   1     0.06  -0.00   0.05    -0.00   0.05  -0.47    -0.08  -0.01  -0.00
    17   1    -0.02  -0.01   0.07    -0.00   0.00  -0.02     0.01  -0.01   0.23
    18   1     0.05  -0.02   0.03     0.01  -0.05   0.47    -0.06   0.02   0.04
    19   1    -0.01  -0.01  -0.05     0.00  -0.05   0.52    -0.01   0.06  -0.19
    20   1     0.03   0.45  -0.51    -0.00   0.01  -0.01    -0.02   0.13  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.6566               956.8059               974.8972
 Red. masses --      1.4871                 1.3573                 1.2407
 Frc consts  --      0.7540                 0.7321                 0.6948
 IR Inten    --      0.8654                 0.0303                 0.2278
 RamAct Fr= 1--      1.6110                 0.1489                 0.0694
  Dep-P Fr= 1--      0.7087                 0.2634                 0.6511
  Dep-U Fr= 1--      0.8295                 0.4170                 0.7887
 Alpha2 Fr= 1--      0.0012                 0.0017                 0.0001
 Beta2  Fr= 1--      0.2227                 0.0103                 0.0091
 AlphaG Fr= 1--     -0.0017                -0.0111                 0.0039
 Gamma2 Fr= 1--     -0.6363                -0.3915                 0.1220
 Delta2 Fr= 1--      0.1925                 0.0923                 0.0207
 Raman1 Fr= 1--       6.444                  0.595                  0.278
 ROA1   Fr= 1--     -54.920                -34.626                 12.376
 CID1   Fr= 1--      -8.523                -58.151                 44.556
 Raman2 Fr= 1--       2.673                  0.124                  0.110
 ROA2   Fr= 1--     -16.810                -10.133                  2.763
 CID2   Fr= 1--      -6.290                -81.629                 25.226
 Raman3 Fr= 1--       5.345                  0.248                  0.219
 ROA3   Fr= 1--     -54.920                -34.626                 12.376
 CID3   Fr= 1--     -10.274               -139.464                 56.493
 RC180  Fr= 1--       0.659                 -0.166                  0.577
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.00   0.01  -0.10    -0.00   0.01  -0.07
     2   6     0.00  -0.02   0.10     0.00  -0.01   0.09     0.00  -0.00   0.03
     3   6    -0.01   0.01  -0.09    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.10     0.00   0.01  -0.08    -0.00  -0.00   0.04
     5   6     0.01   0.01  -0.00     0.00  -0.01   0.09     0.00   0.01  -0.08
     6   6    -0.00   0.01  -0.09    -0.00  -0.00   0.01     0.00  -0.01   0.08
     7   6    -0.04  -0.00  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.01
     8   7     0.03   0.02   0.04     0.00   0.00   0.00     0.00   0.00   0.01
     9   6    -0.01  -0.02  -0.03    -0.00   0.00  -0.00    -0.01  -0.00   0.00
    10   1     0.02  -0.04   0.19    -0.01  -0.00  -0.00    -0.00   0.00   0.01
    11   1    -0.06  -0.03   0.08     0.00  -0.00  -0.01     0.00   0.00  -0.00
    12   1    -0.04  -0.05   0.13     0.01   0.00  -0.00     0.01  -0.00   0.01
    13   1     0.08   0.13  -0.10     0.02   0.00  -0.01     0.01   0.00  -0.01
    14   1     0.00   0.05   0.05    -0.01  -0.01   0.02    -0.01  -0.01   0.02
    15   1    -0.00   0.05  -0.51     0.01  -0.04   0.44    -0.01   0.03  -0.33
    16   1     0.02   0.01  -0.03    -0.00   0.05  -0.46     0.01  -0.06   0.55
    17   1     0.00  -0.06   0.57    -0.00   0.01  -0.05    -0.00   0.05  -0.52
    18   1     0.02  -0.01  -0.02     0.00  -0.06   0.56     0.00  -0.05   0.46
    19   1    -0.00   0.03  -0.50    -0.00   0.05  -0.49    -0.00   0.02  -0.26
    20   1     0.02  -0.07   0.05     0.00  -0.00   0.02     0.00  -0.00   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1012.0277              1026.6513              1055.0167
 Red. masses --      1.6157                 5.6616                 2.2517
 Frc consts  --      0.9750                 3.5159                 1.4766
 IR Inten    --      5.4792                 0.4029                 4.3229
 RamAct Fr= 1--     15.2606                45.9143                24.0384
  Dep-P Fr= 1--      0.1702                 0.0484                 0.0463
  Dep-U Fr= 1--      0.2908                 0.0924                 0.0885
 Alpha2 Fr= 1--      0.2241                 0.9104                 0.4790
 Beta2  Fr= 1--      0.7397                 0.7068                 0.3546
 AlphaG Fr= 1--     -0.0846                 0.0791                 0.0198
 Gamma2 Fr= 1--      2.4407                -0.8460                -0.1041
 Delta2 Fr= 1--      1.4986                -0.2880                -0.1908
 Raman1 Fr= 1--      61.042                183.657                 96.154
 ROA1   Fr= 1--     282.262                -90.432                -16.096
 CID1   Fr= 1--       4.624                 -0.492                 -0.167
 Raman2 Fr= 1--       8.877                  8.481                  4.255
 ROA2   Fr= 1--      46.587                -18.000                 -0.972
 CID2   Fr= 1--       5.248                 -2.122                 -0.228
 Raman3 Fr= 1--      17.753                 16.963                  8.511
 ROA3   Fr= 1--     282.262                -90.432                -16.096
 CID3   Fr= 1--      15.899                 -5.331                 -1.891
 RC180  Fr= 1--      -0.418                 -0.815                 -0.823
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.04   0.01    -0.02   0.06   0.01    -0.00   0.19   0.02
     2   6     0.03   0.05  -0.00    -0.22  -0.30  -0.03     0.04  -0.08  -0.01
     3   6     0.03  -0.02  -0.01     0.02   0.00  -0.00     0.04  -0.00   0.00
     4   6     0.01  -0.02  -0.00    -0.13   0.35   0.03     0.06   0.06   0.01
     5   6    -0.01  -0.02  -0.00    -0.03  -0.05  -0.00    -0.06  -0.19  -0.02
     6   6    -0.04  -0.01  -0.00     0.35  -0.05  -0.01    -0.14   0.02   0.00
     7   6     0.04  -0.02  -0.12     0.03   0.00  -0.05    -0.01   0.01   0.02
     8   7     0.05   0.01   0.08     0.03   0.00   0.03    -0.02  -0.00  -0.01
     9   6    -0.14   0.01   0.02    -0.04  -0.00   0.02     0.00  -0.01  -0.01
    10   1    -0.07   0.05  -0.12    -0.05   0.02  -0.08     0.04  -0.00   0.04
    11   1     0.23   0.05  -0.29     0.00   0.02  -0.14    -0.03  -0.00   0.08
    12   1     0.27   0.05  -0.07     0.08   0.01  -0.02    -0.02  -0.02   0.05
    13   1     0.26  -0.02  -0.14     0.05  -0.04  -0.01     0.02   0.06  -0.04
    14   1    -0.22  -0.42   0.48    -0.07  -0.14   0.14     0.01   0.04   0.01
    15   1    -0.00  -0.03   0.01    -0.10   0.38   0.06     0.38   0.18   0.01
    16   1     0.00  -0.03  -0.02     0.00  -0.05  -0.03     0.23  -0.43  -0.04
    17   1    -0.05  -0.04   0.01     0.37  -0.07  -0.00    -0.15   0.03   0.01
    18   1    -0.06   0.03  -0.04    -0.01   0.05   0.00     0.36   0.34   0.03
    19   1     0.03   0.05   0.07    -0.17  -0.35  -0.02     0.30  -0.28  -0.04
    20   1     0.06   0.03   0.37     0.03   0.02   0.21    -0.02   0.00  -0.12
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1074.1089              1112.8397              1121.8320
 Red. masses --      2.4664                 1.7742                 1.6419
 Frc consts  --      1.6765                 1.2945                 1.2174
 IR Inten    --     16.8555                 9.1036                 8.2962
 RamAct Fr= 1--      8.9223                 3.5628                 2.6642
  Dep-P Fr= 1--      0.4881                 0.3842                 0.7014
  Dep-U Fr= 1--      0.6560                 0.5551                 0.8245
 Alpha2 Fr= 1--      0.0465                 0.0279                 0.0023
 Beta2  Fr= 1--      0.9755                 0.3296                 0.3661
 AlphaG Fr= 1--      0.1515                 0.0787                 0.0048
 Gamma2 Fr= 1--      0.2282                 0.6900                 0.8226
 Delta2 Fr= 1--     -2.5557                 0.4377                 0.4723
 Raman1 Fr= 1--      35.689                 14.251                 10.657
 ROA1   Fr= 1--     -59.875                 80.247                 94.081
 CID1   Fr= 1--      -1.678                  5.631                  8.828
 Raman2 Fr= 1--      11.706                  3.955                  4.393
 ROA2   Fr= 1--      25.922                 13.058                 15.963
 CID2   Fr= 1--       2.214                  3.302                  3.634
 Raman3 Fr= 1--      23.412                  7.910                  8.786
 ROA3   Fr= 1--     -59.875                 80.247                 94.081
 CID3   Fr= 1--      -2.557                 10.144                 10.708
 RC180  Fr= 1--       0.312                  0.110                  0.649
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.01     0.03  -0.04  -0.00     0.04  -0.04  -0.00
     2   6     0.06   0.04   0.02    -0.10  -0.01   0.01    -0.03  -0.03  -0.00
     3   6    -0.01  -0.06  -0.06     0.06   0.03  -0.03    -0.12   0.04  -0.01
     4   6    -0.05   0.07   0.02     0.09  -0.05   0.01     0.02  -0.01   0.00
     5   6     0.05   0.04   0.00    -0.08  -0.05  -0.00     0.04   0.00  -0.00
     6   6    -0.00  -0.06  -0.01     0.03   0.07   0.01    -0.03   0.03   0.00
     7   6    -0.04  -0.16   0.20     0.02  -0.05   0.13    -0.07  -0.09  -0.02
     8   7    -0.01   0.01  -0.08    -0.02  -0.02  -0.05     0.08   0.03   0.02
     9   6     0.00   0.15  -0.05    -0.04   0.05  -0.05     0.05   0.07   0.04
    10   1    -0.06  -0.05   0.01    -0.05  -0.01  -0.11    -0.19   0.01  -0.17
    11   1     0.24  -0.11   0.13     0.07  -0.04   0.12    -0.33  -0.07  -0.29
    12   1     0.35   0.24  -0.41     0.18   0.08  -0.07     0.05   0.12  -0.30
    13   1     0.13  -0.12  -0.04     0.17   0.04  -0.13    -0.16  -0.21   0.18
    14   1    -0.07  -0.21   0.06    -0.07  -0.14   0.17     0.03  -0.01  -0.21
    15   1    -0.23   0.01  -0.08     0.38   0.07  -0.04     0.23   0.08  -0.01
    16   1     0.19  -0.07  -0.01    -0.29   0.11   0.01     0.09  -0.05  -0.01
    17   1    -0.05  -0.35  -0.03     0.09   0.48   0.05    -0.01   0.14   0.02
    18   1    -0.20  -0.00  -0.00     0.16   0.00  -0.00     0.23   0.03  -0.00
    19   1     0.21  -0.07  -0.06    -0.43   0.24   0.00     0.03  -0.08  -0.00
    20   1    -0.03  -0.10  -0.11    -0.02   0.00  -0.06     0.06  -0.05   0.51
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.8234              1200.1757              1207.6744
 Red. masses --      1.1254                 1.6000                 1.1343
 Frc consts  --      0.9308                 1.3579                 0.9747
 IR Inten    --      0.1025                 2.2241                 0.0477
 RamAct Fr= 1--      3.1414                 4.9776                 4.8080
  Dep-P Fr= 1--      0.7301                 0.2832                 0.6243
  Dep-U Fr= 1--      0.8440                 0.4413                 0.7687
 Alpha2 Fr= 1--      0.0011                 0.0537                 0.0110
 Beta2  Fr= 1--      0.4419                 0.3661                 0.6160
 AlphaG Fr= 1--      0.0004                 0.0083                 0.0071
 Gamma2 Fr= 1--      0.4678                -2.5380                -0.1282
 Delta2 Fr= 1--     -0.0495                 0.3501                -0.0207
 Raman1 Fr= 1--      12.566                 19.911                 19.232
 ROA1   Fr= 1--      43.327               -232.447                -12.970
 CID1   Fr= 1--       3.448                -11.675                 -0.674
 Raman2 Fr= 1--       5.303                  4.394                  7.392
 ROA2   Fr= 1--      11.624                -63.714                 -2.911
 CID2   Fr= 1--       2.192                -14.501                 -0.394
 Raman3 Fr= 1--      10.605                  8.787                 14.783
 ROA3   Fr= 1--      43.327               -232.447                -12.970
 CID3   Fr= 1--       4.085                -26.452                 -0.877
 RC180  Fr= 1--       0.688                 -0.117                  0.537
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00     0.00   0.00  -0.00     0.05   0.02   0.00
     2   6     0.01  -0.01  -0.00    -0.03   0.03  -0.00    -0.05   0.04   0.00
     3   6    -0.00   0.01  -0.00     0.00  -0.06   0.03     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.03   0.03  -0.00    -0.05  -0.02  -0.00
     5   6     0.04  -0.03  -0.00    -0.01  -0.00  -0.00     0.04  -0.03  -0.00
     6   6     0.01   0.07   0.01     0.01   0.01   0.00     0.01  -0.00  -0.00
     7   6     0.01   0.01   0.02    -0.06  -0.10  -0.13    -0.00   0.00  -0.00
     8   7    -0.00  -0.01  -0.01    -0.02   0.07   0.05    -0.00   0.00  -0.00
     9   6    -0.01  -0.00  -0.01     0.03   0.03   0.05     0.00   0.00  -0.00
    10   1    -0.02   0.01  -0.06     0.20  -0.07   0.55    -0.00  -0.00   0.01
    11   1    -0.03   0.01   0.01     0.43  -0.07   0.03     0.01   0.00   0.01
    12   1     0.01  -0.01   0.02    -0.01   0.05  -0.15    -0.01   0.00   0.00
    13   1     0.02   0.02  -0.02    -0.10  -0.16   0.14    -0.00  -0.01   0.00
    14   1    -0.00   0.01   0.03     0.00  -0.07  -0.16    -0.00  -0.02   0.00
    15   1    -0.19  -0.08  -0.01     0.18   0.08   0.04    -0.46  -0.18  -0.01
    16   1     0.39  -0.31  -0.04     0.05  -0.05  -0.00     0.37  -0.29  -0.03
    17   1     0.10   0.64   0.07     0.04   0.23   0.02     0.01  -0.01  -0.00
    18   1    -0.44  -0.17  -0.02    -0.09  -0.04   0.00     0.46   0.18   0.02
    19   1     0.14  -0.11  -0.01    -0.14   0.11   0.02    -0.41   0.32   0.03
    20   1     0.00   0.02   0.03    -0.04  -0.15  -0.37    -0.00  -0.01  -0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1234.6121              1332.2650              1356.8244
 Red. masses --      2.1575                 3.3275                 1.7117
 Frc consts  --      1.9376                 3.4797                 1.8566
 IR Inten    --      4.3663                 4.2179                 3.0364
 RamAct Fr= 1--     28.1595                 0.9195                 1.0763
  Dep-P Fr= 1--      0.0504                 0.1307                 0.3753
  Dep-U Fr= 1--      0.0959                 0.2312                 0.5458
 Alpha2 Fr= 1--      0.5558                 0.0149                 0.0087
 Beta2  Fr= 1--      0.4501                 0.0354                 0.0979
 AlphaG Fr= 1--     -0.0723                -0.0111                 0.0096
 Gamma2 Fr= 1--     -0.8414                 0.6593                 0.8128
 Delta2 Fr= 1--     -0.1238                 0.1805                -0.5832
 Raman1 Fr= 1--     112.638                  3.678                  4.305
 ROA1   Fr= 1--     -84.732                 69.073                 59.361
 CID1   Fr= 1--      -0.752                 18.779                 13.788
 Raman2 Fr= 1--       5.401                  0.425                  1.175
 ROA2   Fr= 1--     -19.202                 14.380                 24.172
 CID2   Fr= 1--      -3.555                 33.812                 20.576
 Raman3 Fr= 1--      10.802                  0.851                  2.350
 ROA3   Fr= 1--     -84.732                 69.073                 59.361
 CID3   Fr= 1--      -7.844                 81.209                 25.264
 RC180  Fr= 1--      -0.808                 -0.538                  0.092
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.06   0.01    -0.14  -0.09  -0.01    -0.06  -0.00   0.00
     2   6     0.05  -0.03  -0.00     0.07  -0.08  -0.01     0.12  -0.06  -0.01
     3   6     0.25   0.01   0.00    -0.02   0.26   0.04     0.02  -0.02  -0.01
     4   6     0.02  -0.03  -0.00    -0.13  -0.07  -0.01    -0.12  -0.02  -0.00
     5   6    -0.06  -0.05  -0.00     0.13  -0.10  -0.01     0.05  -0.03  -0.00
     6   6     0.02   0.01   0.00     0.02   0.13   0.01     0.02   0.12   0.01
     7   6    -0.12  -0.03  -0.03     0.11  -0.07  -0.07    -0.06   0.02   0.04
     8   7     0.02   0.04   0.02    -0.04   0.02   0.01     0.01   0.00   0.00
     9   6     0.03   0.05   0.02    -0.05   0.05   0.02     0.03  -0.02  -0.02
    10   1    -0.03  -0.01   0.09     0.13  -0.02   0.24    -0.05   0.00  -0.05
    11   1    -0.69  -0.09  -0.12    -0.01  -0.18   0.36     0.20   0.12  -0.30
    12   1    -0.02   0.07  -0.14     0.15   0.08  -0.07    -0.11  -0.05   0.07
    13   1    -0.08  -0.09   0.09     0.11  -0.14  -0.00    -0.07   0.05   0.00
    14   1     0.00  -0.04  -0.09    -0.08  -0.15   0.03     0.03   0.02   0.01
    15   1    -0.37  -0.20  -0.01    -0.12  -0.07   0.01     0.46   0.21   0.01
    16   1    -0.26   0.10   0.01    -0.24   0.19   0.02     0.15  -0.11  -0.01
    17   1     0.00  -0.04  -0.00    -0.01  -0.09  -0.01    -0.05  -0.31  -0.03
    18   1    -0.21   0.00   0.00     0.41   0.12   0.01    -0.22  -0.06  -0.00
    19   1    -0.11   0.10   0.01     0.20  -0.18  -0.01    -0.43   0.36   0.04
    20   1     0.00  -0.08   0.04    -0.03  -0.02  -0.28     0.01  -0.03   0.05
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1376.2065              1406.5884              1412.6914
 Red. masses --      1.2046                 1.2322                 1.4245
 Frc consts  --      1.3442                 1.4363                 1.6749
 IR Inten    --      4.7058                 7.7464                12.1612
 RamAct Fr= 1--      5.3343                 0.5218                 3.6469
  Dep-P Fr= 1--      0.6207                 0.4988                 0.4520
  Dep-U Fr= 1--      0.7659                 0.6656                 0.6225
 Alpha2 Fr= 1--      0.0126                 0.0026                 0.0222
 Beta2  Fr= 1--      0.6810                 0.0579                 0.3784
 AlphaG Fr= 1--      0.0055                 0.0101                 0.0580
 Gamma2 Fr= 1--     -2.6719                 0.0017                 0.8809
 Delta2 Fr= 1--      0.1177                 0.1557                 0.2522
 Raman1 Fr= 1--      21.337                  2.087                 14.588
 ROA1   Fr= 1--    -252.735                  5.148                 92.637
 CID1   Fr= 1--     -11.845                  2.466                  6.350
 Raman2 Fr= 1--       8.172                  0.695                  4.541
 ROA2   Fr= 1--     -65.067                 -1.205                 19.125
 CID2   Fr= 1--      -7.963                 -1.734                  4.212
 Raman3 Fr= 1--      16.343                  1.389                  9.082
 ROA3   Fr= 1--    -252.735                  5.148                 92.637
 CID3   Fr= 1--     -15.464                  3.706                 10.201
 RC180  Fr= 1--       0.532                  0.331                  0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.00    -0.00  -0.00  -0.00    -0.05  -0.00  -0.00
     2   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.00   0.00
     3   6    -0.01  -0.05  -0.00    -0.00   0.01  -0.00     0.04   0.02   0.00
     4   6    -0.02  -0.00  -0.00     0.01   0.00   0.00     0.01   0.02   0.00
     5   6    -0.02   0.02   0.00     0.01  -0.00  -0.00     0.03  -0.04  -0.00
     6   6     0.00   0.02   0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6     0.03   0.04  -0.08    -0.01  -0.01   0.01    -0.15   0.03  -0.02
     8   7     0.01  -0.04  -0.01     0.00  -0.00   0.00     0.04  -0.04  -0.02
     9   6    -0.01   0.05   0.02     0.07   0.07  -0.10     0.04  -0.02   0.02
    10   1    -0.02  -0.00  -0.10     0.00   0.01  -0.02    -0.14  -0.00  -0.25
    11   1    -0.26  -0.19   0.79     0.06   0.01  -0.01     0.61   0.06   0.39
    12   1     0.01   0.06  -0.06    -0.29  -0.08   0.48    -0.16  -0.00  -0.19
    13   1    -0.01  -0.11   0.06    -0.40  -0.37   0.21    -0.10   0.21   0.02
    14   1    -0.05  -0.14   0.02    -0.03  -0.34   0.44     0.03   0.01  -0.05
    15   1     0.21   0.08   0.02    -0.04  -0.02  -0.00    -0.18  -0.05   0.00
    16   1     0.15  -0.11  -0.01    -0.04   0.03   0.00    -0.19   0.14   0.01
    17   1    -0.02  -0.13  -0.01     0.01   0.05   0.00     0.02   0.15   0.02
    18   1    -0.17  -0.06  -0.01     0.04   0.02   0.00     0.13   0.07   0.00
    19   1    -0.16   0.13   0.01     0.06  -0.05  -0.01     0.05  -0.02  -0.00
    20   1     0.02   0.07   0.13     0.00   0.01   0.01     0.05   0.04   0.31
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.4102              1493.6132              1496.3249
 Red. masses --      1.3830                 1.2680                 1.1895
 Frc consts  --      1.8100                 1.6667                 1.5692
 IR Inten    --      6.4099                 1.1655                 7.6628
 RamAct Fr= 1--      2.1843                 4.8271                 4.1843
  Dep-P Fr= 1--      0.7457                 0.7414                 0.4163
  Dep-U Fr= 1--      0.8543                 0.8515                 0.5878
 Alpha2 Fr= 1--      0.0002                 0.0007                 0.0292
 Beta2  Fr= 1--      0.3110                 0.6850                 0.4100
 AlphaG Fr= 1--     -0.0071                 0.0003                -0.0616
 Gamma2 Fr= 1--     -2.1662                 1.6571                -3.3222
 Delta2 Fr= 1--      0.2741                -2.0538                 1.3721
 Raman1 Fr= 1--       8.737                 19.309                 16.737
 ROA1   Fr= 1--    -199.185                 93.358               -275.025
 CID1   Fr= 1--     -22.797                  4.835                -16.432
 Raman2 Fr= 1--       3.732                  8.220                  4.919
 ROA2   Fr= 1--     -54.182                 56.200                -90.709
 CID2   Fr= 1--     -14.517                  6.837                -18.439
 Raman3 Fr= 1--       7.464                 16.441                  9.839
 ROA3   Fr= 1--    -199.185                 93.358               -275.025
 CID3   Fr= 1--     -26.685                  5.678                -27.953
 RC180  Fr= 1--       0.709                  0.703                  0.176
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.00     0.05  -0.02  -0.00    -0.04   0.00   0.00
     2   6     0.06   0.02   0.00    -0.04  -0.01  -0.00     0.02   0.02   0.00
     3   6    -0.01  -0.09  -0.01     0.02   0.07   0.01    -0.01  -0.05  -0.01
     4   6    -0.04   0.04   0.00     0.03  -0.03  -0.00    -0.04   0.01   0.00
     5   6     0.08  -0.01  -0.00    -0.06   0.00   0.00     0.04   0.01   0.00
     6   6    -0.01  -0.07  -0.01     0.01   0.06   0.01     0.00  -0.04  -0.00
     7   6    -0.01   0.02  -0.02    -0.02  -0.03  -0.02     0.06  -0.01   0.00
     8   7     0.01  -0.00   0.00     0.00   0.00   0.00    -0.01   0.01   0.00
     9   6    -0.03  -0.01  -0.02    -0.00  -0.04  -0.03     0.03  -0.03   0.00
    10   1    -0.03   0.00  -0.03    -0.02  -0.01   0.01     0.05  -0.00   0.08
    11   1    -0.11  -0.02   0.06     0.12  -0.02   0.06    -0.24  -0.05  -0.04
    12   1     0.54   0.01   0.22     0.41   0.05  -0.14    -0.21   0.04  -0.46
    13   1    -0.09  -0.30   0.08    -0.43   0.09   0.14    -0.36   0.51   0.04
    14   1     0.09   0.48   0.09     0.11   0.45   0.44     0.00  -0.11   0.40
    15   1     0.08   0.09   0.01    -0.06  -0.07  -0.01     0.12   0.08   0.01
    16   1    -0.15   0.18   0.02     0.11  -0.14  -0.01    -0.02   0.07   0.01
    17   1     0.05   0.34   0.04    -0.04  -0.28  -0.03     0.04   0.19   0.02
    18   1     0.17   0.12   0.01    -0.13  -0.09  -0.01     0.14   0.08   0.01
    19   1    -0.08   0.13   0.03     0.03  -0.08   0.00     0.01   0.04  -0.00
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01    -0.01   0.01  -0.08
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1536.5278              1630.5898              1647.7431
 Red. masses --      2.2281                 5.4311                 1.8976
 Frc consts  --      3.0993                 8.5081                 3.0355
 IR Inten    --      7.4663                 0.6408                13.3717
 RamAct Fr= 1--      0.0985                10.2984                23.1910
  Dep-P Fr= 1--      0.7482                 0.7440                 0.7047
  Dep-U Fr= 1--      0.8559                 0.8532                 0.8268
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0182
 Beta2  Fr= 1--      0.0141                 1.4644                 3.1957
 AlphaG Fr= 1--      0.0001                 0.0076                -0.0243
 Gamma2 Fr= 1--      0.3379                 0.2002                -1.8378
 Delta2 Fr= 1--     -0.0823                 0.1056                 0.8585
 Raman1 Fr= 1--       0.394                 41.194                 92.764
 ROA1   Fr= 1--      29.802                 22.596               -148.952
 CID1   Fr= 1--      75.617                  0.549                 -1.606
 Raman2 Fr= 1--       0.169                 17.573                 38.349
 ROA2   Fr= 1--       8.767                  3.959                -50.974
 CID2   Fr= 1--      51.979                  0.225                 -1.329
 Raman3 Fr= 1--       0.337                 35.147                 76.697
 ROA3   Fr= 1--      29.802                 22.596               -148.952
 CID3   Fr= 1--      88.344                  0.643                 -1.942
 RC180  Fr= 1--       0.712                  0.706                  0.654
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.09  -0.01    -0.09  -0.19  -0.02    -0.12  -0.01  -0.00
     2   6    -0.05   0.11   0.01    -0.08   0.20   0.02     0.12  -0.05  -0.01
     3   6     0.14  -0.02  -0.00    -0.04  -0.30  -0.03    -0.09   0.01  -0.00
     4   6    -0.08  -0.09  -0.01     0.11   0.17   0.02     0.13   0.02   0.00
     5   6    -0.10   0.12   0.01     0.05  -0.22  -0.02    -0.11   0.04   0.01
     6   6     0.11  -0.01  -0.00     0.04   0.35   0.04     0.06  -0.00  -0.00
     7   6    -0.05   0.01  -0.00     0.02   0.03   0.00    -0.00  -0.02   0.01
     8   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00    -0.04  -0.03  -0.05
     9   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   1    -0.05   0.00  -0.05     0.03   0.01  -0.00     0.59   0.07   0.25
    11   1     0.01   0.01   0.02    -0.24  -0.01  -0.01    -0.00  -0.00  -0.06
    12   1     0.02  -0.01   0.08    -0.02  -0.01   0.02     0.02   0.00  -0.00
    13   1     0.06  -0.08  -0.00     0.02  -0.01  -0.00    -0.01  -0.01   0.00
    14   1    -0.00   0.02  -0.09    -0.00  -0.01  -0.02     0.01   0.02   0.00
    15   1     0.41   0.09   0.01    -0.28   0.02   0.01    -0.14  -0.09  -0.01
    16   1     0.40  -0.26  -0.03    -0.26   0.00   0.00     0.09  -0.11  -0.01
    17   1     0.13  -0.03  -0.00    -0.08  -0.47  -0.05     0.07  -0.01  -0.00
    18   1     0.46   0.13   0.01     0.22  -0.09  -0.01     0.12   0.09   0.01
    19   1     0.40  -0.23  -0.02     0.31  -0.09  -0.01    -0.12   0.14   0.00
    20   1     0.00  -0.02   0.02     0.00   0.03   0.03     0.02   0.50   0.37
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.0859              3024.7747              3026.4526
 Red. masses --      1.7570                 1.0358                 1.0832
 Frc consts  --      2.8358                 5.5834                 5.8457
 IR Inten    --     27.2956                24.5281                18.5298
 RamAct Fr= 1--     17.7782               182.8652               113.5916
  Dep-P Fr= 1--      0.5730                 0.0465                 0.1505
  Dep-U Fr= 1--      0.7285                 0.0888                 0.2616
 Alpha2 Fr= 1--      0.0593                 3.6426                 1.7537
 Beta2  Fr= 1--      2.1587                 2.7069                 4.9535
 AlphaG Fr= 1--      0.0844                -0.1554                -0.3527
 Gamma2 Fr= 1--      3.5996                 0.2380                 3.7422
 Delta2 Fr= 1--     -0.2043                -2.0831                 2.6725
 Raman1 Fr= 1--      71.113                731.461                454.366
 ROA1   Fr= 1--     339.021                -43.815                444.771
 CID1   Fr= 1--       4.767                 -0.060                  0.979
 Raman2 Fr= 1--      25.904                 32.483                 59.442
 ROA2   Fr= 1--      88.024                 22.376                 68.433
 CID2   Fr= 1--       3.398                  0.689                  1.151
 Raman3 Fr= 1--      51.808                 64.966                118.883
 ROA3   Fr= 1--     339.021                -43.815                444.771
 CID3   Fr= 1--       6.544                 -0.674                  3.741
 RC180  Fr= 1--       0.457                 -0.822                 -0.477
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     2   6    -0.11   0.05   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.10  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.12  -0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.09  -0.04  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.05   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.03  -0.02   0.01     0.00  -0.01  -0.00     0.01  -0.08  -0.02
     8   7    -0.04  -0.03  -0.05    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00   0.00    -0.03  -0.02   0.04    -0.00   0.02   0.00
    10   1     0.60   0.07   0.24     0.00  -0.00   0.00     0.01  -0.02  -0.00
    11   1     0.01   0.00  -0.06    -0.02   0.15   0.03    -0.14   0.94   0.19
    12   1     0.03   0.00   0.00    -0.06   0.50   0.10     0.03  -0.23  -0.04
    13   1     0.00  -0.02   0.01    -0.23  -0.12  -0.51     0.01   0.01   0.04
    14   1     0.01   0.04  -0.02     0.61  -0.14   0.00    -0.02   0.01   0.00
    15   1     0.14   0.08   0.01     0.00  -0.00  -0.00     0.01  -0.02  -0.00
    16   1    -0.07   0.09   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    17   1    -0.05   0.02   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    18   1    -0.10  -0.07  -0.01    -0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1     0.10  -0.11  -0.02    -0.01  -0.01  -0.00     0.01   0.01   0.00
    20   1     0.02   0.51   0.40     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3087.2422              3095.3151              3160.7996
 Red. masses --      1.1020                 1.1016                 1.0853
 Frc consts  --      6.1880                 6.2182                 6.3885
 IR Inten    --     39.0955                31.1105                 7.1553
 RamAct Fr= 1--    115.8481                45.7201                19.5295
  Dep-P Fr= 1--      0.7155                 0.5404                 0.4728
  Dep-U Fr= 1--      0.8342                 0.7017                 0.6421
 Alpha2 Fr= 1--      0.0690                 0.1843                 0.1089
 Beta2  Fr= 1--     16.1064                 5.3467                 2.0899
 AlphaG Fr= 1--     -0.0112                 0.0112                -0.0033
 Gamma2 Fr= 1--     -2.3476                 3.4790                -0.2819
 Delta2 Fr= 1--      1.7034                 1.9192                -0.1735
 Raman1 Fr= 1--     463.393                182.880                 78.118
 ROA1   Fr= 1--    -170.862                395.399                -32.612
 CID1   Fr= 1--      -0.369                  2.162                 -0.417
 Raman2 Fr= 1--     193.276                 64.161                 25.079
 ROA2   Fr= 1--     -69.970                 68.142                 -5.377
 CID2   Fr= 1--      -0.362                  1.062                 -0.214
 Raman3 Fr= 1--     386.552                128.321                 50.159
 ROA3   Fr= 1--    -170.862                395.399                -32.612
 CID3   Fr= 1--      -0.442                  3.081                 -0.650
 RC180  Fr= 1--       0.668                  0.403                  0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.04   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.04  -0.05  -0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.02   0.00
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.00
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08   0.03  -0.04    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
    10   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    11   1     0.01  -0.07  -0.01    -0.02   0.15   0.03     0.00  -0.00  -0.00
    12   1     0.01  -0.28  -0.06    -0.09   0.76   0.13    -0.00   0.04   0.01
    13   1     0.20   0.13   0.51     0.23   0.11   0.53     0.00   0.00   0.01
    14   1     0.75  -0.17  -0.01    -0.13   0.01  -0.01    -0.00   0.00  -0.00
    15   1    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.10  -0.25  -0.02
    16   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.17   0.22   0.02
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.30   0.04   0.01
    18   1     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.18  -0.47  -0.05
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.00     0.43   0.55   0.05
    20   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3164.8426              3174.7777              3183.0837
 Red. masses --      1.0868                 1.0897                 1.0935
 Frc consts  --      6.4136                 6.4714                 6.5278
 IR Inten    --      2.4075                 7.8683                32.3042
 RamAct Fr= 1--     94.3138               127.9526                34.1290
  Dep-P Fr= 1--      0.7403                 0.5113                 0.7481
  Dep-U Fr= 1--      0.8508                 0.6767                 0.8559
 Alpha2 Fr= 1--      0.0156                 0.5986                 0.0011
 Beta2  Fr= 1--     13.3732                14.4305                 4.8687
 AlphaG Fr= 1--     -0.0085                 0.0066                -0.0031
 Gamma2 Fr= 1--     -2.2781                -0.8844                 0.6067
 Delta2 Fr= 1--     -0.5424                -0.3847                -0.8499
 Raman1 Fr= 1--     377.255                511.811                136.516
 ROA1   Fr= 1--    -236.059                -97.215                 31.046
 CID1   Fr= 1--      -0.626                 -0.190                  0.227
 Raman2 Fr= 1--     160.479                173.166                 58.424
 ROA2   Fr= 1--     -50.336                -18.149                 21.360
 CID2   Fr= 1--      -0.314                 -0.105                  0.366
 Raman3 Fr= 1--     320.957                346.332                116.848
 ROA3   Fr= 1--    -236.059                -97.215                 31.046
 CID3   Fr= 1--      -0.735                 -0.281                  0.266
 RC180  Fr= 1--       0.702                  0.353                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00     0.01  -0.03  -0.00     0.02  -0.05  -0.01
     2   6    -0.02  -0.03  -0.00    -0.02  -0.03  -0.00    -0.02  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6     0.02  -0.06  -0.01    -0.01   0.04   0.00     0.01  -0.03  -0.00
     5   6     0.02   0.03   0.00     0.01   0.01   0.00    -0.03  -0.04  -0.00
     6   6    -0.01   0.00   0.00    -0.05   0.01   0.00     0.01   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    11   1    -0.00   0.02   0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
    12   1    -0.00   0.03   0.01    -0.00   0.02   0.00    -0.00   0.01   0.00
    13   1     0.00   0.00   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    14   1    -0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1    -0.26   0.67   0.06     0.17  -0.44  -0.04    -0.13   0.34   0.03
    16   1    -0.30  -0.38  -0.04    -0.14  -0.17  -0.02     0.38   0.48   0.05
    17   1     0.16  -0.02  -0.00     0.63  -0.09  -0.01    -0.07   0.01   0.00
    18   1     0.05  -0.13  -0.01    -0.13   0.33   0.03    -0.23   0.57   0.06
    19   1     0.27   0.34   0.03     0.26   0.34   0.03     0.19   0.24   0.02
    20   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3194.4313              3472.0778              3551.7595
 Red. masses --      1.0975                 1.0482                 1.0931
 Frc consts  --      6.5987                 7.4452                 8.1242
 IR Inten    --     14.2345                 1.8000                 0.3018
 RamAct Fr= 1--    326.2102               230.3191                83.2283
  Dep-P Fr= 1--      0.1070                 0.1432                 0.6352
  Dep-U Fr= 1--      0.1934                 0.2505                 0.7769
 Alpha2 Fr= 1--      5.6139                 3.6224                 0.1732
 Beta2  Fr= 1--     10.5124                 9.6159                10.7764
 AlphaG Fr= 1--      0.0460                -0.3381                 0.3189
 Gamma2 Fr= 1--      1.0308                -2.1805                 4.0421
 Delta2 Fr= 1--      0.1917                -8.0661                 3.8765
 Raman1 Fr= 1--    1304.841                921.276                332.913
 ROA1   Fr= 1--     105.087               -467.441                512.087
 CID1   Fr= 1--       0.081                 -0.507                  1.538
 Raman2 Fr= 1--     126.149                115.391                129.317
 ROA2   Fr= 1--      23.205                 12.197                 65.998
 CID2   Fr= 1--       0.184                  0.106                  0.510
 Raman3 Fr= 1--     252.298                230.782                258.633
 ROA3   Fr= 1--     105.087               -467.441                512.087
 CID3   Fr= 1--       0.417                 -2.025                  1.980
 RC180  Fr= 1--      -0.613                 -0.499                  0.554
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.01   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.02  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.04  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.06   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.04  -0.04  -0.02     0.06  -0.05  -0.02
     9   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00    -0.20   0.59   0.23    -0.19   0.68   0.25
    11   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    12   1     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   1    -0.07   0.18   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    16   1     0.31   0.40   0.04    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.67  -0.10  -0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   1     0.16  -0.42  -0.04    -0.00   0.00   0.00     0.00  -0.00   0.00
    19   1    -0.10  -0.13  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1     0.00  -0.00  -0.00     0.74  -0.07  -0.00    -0.66   0.03   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   527.103851650.114751809.83533
           X            0.99992   0.00795  -0.00954
           Y           -0.00774   0.99972   0.02235
           Z            0.00972  -0.02227   0.99970
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16432     0.05249     0.04786
 Rotational constants (GHZ):           3.42388     1.09371     0.99719
 Zero-point vibrational energy     455246.6 (Joules/Mol)
                                  108.80656 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     39.97   185.28   282.40   345.89   374.44
          (Kelvin)            463.64   477.02   595.99   693.39   789.13
                              855.14   919.45  1024.54  1102.36  1124.57
                             1209.71  1227.07  1313.44  1334.69  1376.63
                             1402.66  1456.08  1477.12  1517.93  1545.40
                             1601.13  1614.07  1704.70  1726.79  1737.57
                             1776.33  1916.83  1952.17  1980.05  2023.77
                             2032.55  2144.37  2148.98  2152.88  2210.72
                             2346.05  2370.73  2381.30  4351.98  4354.39
                             4441.85  4453.47  4547.69  4553.50  4567.80
                             4579.75  4596.07  4995.55  5110.19
 
 Zero-point correction=                           0.173394 (Hartree/Particle)
 Thermal correction to Energy=                    0.182034
 Thermal correction to Enthalpy=                  0.182978
 Thermal correction to Gibbs Free Energy=         0.139457
 Sum of electronic and zero-point Energies=           -366.225081
 Sum of electronic and thermal Energies=              -366.216441
 Sum of electronic and thermal Enthalpies=            -366.215497
 Sum of electronic and thermal Free Energies=         -366.259018
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.228             33.154             91.598
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.844
 Vibrational            112.451             27.193             22.465
 Vibration     1          0.593              1.984              5.982
 Vibration     2          0.611              1.924              2.964
 Vibration     3          0.636              1.845              2.168
 Vibration     4          0.657              1.779              1.800
 Vibration     5          0.668              1.745              1.660
 Vibration     6          0.707              1.631              1.299
 Vibration     7          0.714              1.613              1.253
 Vibration     8          0.778              1.439              0.912
 Vibration     9          0.838              1.290              0.705
 Vibration    10          0.904              1.143              0.547
 Vibration    11          0.952              1.044              0.459
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.714652D-64        -64.145906       -147.701406
 Total V=0       0.407247D+16         15.609858         35.943026
 Vib (Bot)       0.303817D-77        -77.517388       -178.490381
 Vib (Bot)    1  0.745469D+01          0.872430          2.008843
 Vib (Bot)    2  0.158356D+01          0.199636          0.459678
 Vib (Bot)    3  0.101733D+01          0.007460          0.017178
 Vib (Bot)    4  0.815480D+00         -0.088587         -0.203979
 Vib (Bot)    5  0.746231D+00         -0.127127         -0.292720
 Vib (Bot)    6  0.582564D+00         -0.234656         -0.540316
 Vib (Bot)    7  0.563024D+00         -0.249473         -0.574433
 Vib (Bot)    8  0.425748D+00         -0.370847         -0.853907
 Vib (Bot)    9  0.346459D+00         -0.460348         -1.059990
 Vib (Bot)   10  0.286543D+00         -0.542810         -1.249867
 Vib (Bot)   11  0.252688D+00         -0.597416         -1.375600
 Vib (V=0)       0.173131D+03          2.238376          5.154051
 Vib (V=0)    1  0.797144D+01          0.901537          2.075865
 Vib (V=0)    2  0.216062D+01          0.334579          0.770397
 Vib (V=0)    3  0.163356D+01          0.213134          0.490760
 Vib (V=0)    4  0.145656D+01          0.163328          0.376077
 Vib (V=0)    5  0.139825D+01          0.145586          0.335224
 Vib (V=0)    6  0.126771D+01          0.103020          0.237213
 Vib (V=0)    7  0.125299D+01          0.097948          0.225534
 Vib (V=0)    8  0.115670D+01          0.063223          0.145575
 Vib (V=0)    9  0.110830D+01          0.044659          0.102831
 Vib (V=0)   10  0.107629D+01          0.031928          0.073517
 Vib (V=0)   11  0.106022D+01          0.025398          0.058480
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.449128D+06          5.652370         13.015064
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3      33333 3333                                               111 1111 11111 1111111111                                    
     5  4      11111 0000                                               666 5444 44333 2221110000999988 77 7  65 5 4  4 33 221  1    
     5  7      98766 9822                                               543 3999 10753 3008217521752154 86 1  39 4 8  1 32 649  2   2
     2  2      43551 5765                                               581 7640 37672 5805234572578331 26 2  94 8 2  4 22 006  9   8
 
     X  X      XXXXX XXXX                                               XXX XXXX XXXXX X XXXXXXXXX XXXX XX X   X X X    XX XXX  X   X
               XX    XXXX                                               XX       X           X      X X XX X                XX       
                X    XXXX                                               X                    X        X X  X                 X       
                X    XX X                                               X                             X X  X                 X       
                X    XX                                                                               X X  X                 X       
                      X                                                                               X X  X                         
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000017300   -0.000000289    0.000001873
      2        6          -0.000011025    0.000013233   -0.000000966
      3        6           0.000002585   -0.000010336    0.000003593
      4        6           0.000019614    0.000004904    0.000001834
      5        6          -0.000012046    0.000013336    0.000000431
      6        6           0.000000729   -0.000017672   -0.000002444
      7        6          -0.000029352   -0.000016342   -0.000045414
      8        7           0.000010797    0.000003096    0.000040991
      9        6           0.000008579    0.000013081   -0.000003002
     10        1          -0.000000687    0.000003612   -0.000004408
     11        1           0.000001136    0.000003045    0.000007036
     12        1          -0.000002455   -0.000004821    0.000005252
     13        1           0.000000921   -0.000001690    0.000000937
     14        1          -0.000004859   -0.000001742   -0.000000058
     15        1          -0.000002159    0.000001207   -0.000001350
     16        1           0.000001835   -0.000001348    0.000002037
     17        1           0.000001652    0.000002041    0.000001343
     18        1          -0.000002639   -0.000000966   -0.000002100
     19        1          -0.000001664   -0.000002889    0.000001087
     20        1           0.000001738    0.000000539   -0.000006673
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000045414 RMS     0.000011039
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.138551D+03  0.101701D+01 -0.731331D+00
      2   0.101701D+01  0.110568D+03  0.227790D+01
      3  -0.731331D+00  0.227790D+01  0.811719D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.151941D+01 -0.158967D+01 -0.110569D+01
      2   0.153856D+01 -0.848231D+01  0.203213D+02
      3  -0.589839D+01  0.361377D+02  0.758263D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.634036D+02  0.233282D+01  0.436046D+01
      2   0.122393D+02  0.375267D+01  0.536674D+01
      3   0.511643D+02 -0.608549D+01 -0.972721D+01
      4   0.108685D+02 -0.752061D+02 -0.190678D+02
      5  -0.899504D+01 -0.182364D+02  0.555054D+02
      6  -0.589133D+01 -0.575972D+01  0.269817D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.407899D+01 -0.988892D+00 -0.235517D+00  0.565401D+01 -0.406235D+00
      2  -0.988892D+00 -0.232822D+01 -0.787981D-01 -0.406235D+00  0.117904D+01
      3  -0.235517D+00 -0.787981D-01 -0.109718D+01  0.193282D+00 -0.627588D+00
                 6             7             8             9            10 
      1   0.193282D+00  0.748181D+00  0.231817D+00 -0.200717D+01 -0.324109D+01
      2  -0.627588D+00  0.231817D+00 -0.681655D+00  0.431410D+01 -0.751043D+00
      3   0.284562D+01 -0.200717D+01  0.431410D+01  0.135705D+01  0.876531D-01
                11            12            13            14            15 
      1  -0.751043D+00  0.876531D-01  0.890625D+01  0.171855D+00  0.131793D-01
      2   0.414838D+01  0.233419D+00  0.171855D+00  0.112660D+01 -0.292010D+00
      3   0.233419D+00  0.219522D+01  0.131793D-01 -0.292010D+00  0.161777D+01
                16            17            18            19            20 
      1   0.885507D+00 -0.575195D-01  0.170079D+01  0.172299D+02 -0.148017D+01
      2  -0.575195D-01 -0.615746D+00  0.329382D+01 -0.148017D+01  0.250584D+01
      3   0.170079D+01  0.329382D+01  0.840832D+00  0.138967D+00  0.252853D+00
                21            22            23            24            25 
      1   0.138967D+00 -0.257616D+01 -0.158889D+01 -0.100637D+01 -0.275352D+00
      2   0.252853D+00 -0.158889D+01 -0.814778D+00 -0.204962D+00 -0.671157D+00
      3   0.196623D+01 -0.100637D+01 -0.204962D+00  0.513736D+00  0.451795D+01
                26            27            28            29            30 
      1  -0.671157D+00  0.451795D+01 -0.499436D+01  0.282447D+01  0.205388D+00
      2  -0.271640D-01 -0.321494D+00  0.282447D+01  0.298005D+01  0.799671D-01
      3  -0.321494D+00 -0.726522D-02  0.205388D+00  0.799671D-01  0.164021D+01
                31            32            33            34            35 
      1  -0.719623D+01 -0.508033D-02 -0.698667D-01 -0.685417D+00 -0.230901D+00
      2  -0.508033D-02 -0.154899D+01  0.338488D+00 -0.230901D+00  0.560572D+00
      3  -0.698667D-01  0.338488D+00 -0.248554D+01  0.138100D+01 -0.405090D+01
                36            37            38            39            40 
      1   0.138100D+01  0.242780D+01 -0.461707D+00  0.175431D-01 -0.639110D+01
      2  -0.405090D+01 -0.461707D+00 -0.389643D+01 -0.389545D+00  0.731219D+00
      3  -0.119845D+01  0.175431D-01 -0.389545D+00 -0.174875D+01  0.248711D+00
                41            42            43            44            45 
      1   0.731219D+00  0.248711D+00 -0.979655D+00  0.353777D+00 -0.329029D+01
      2  -0.137434D+00  0.671495D+00  0.353777D+00  0.758044D+00 -0.371310D+01
      3   0.671495D+00 -0.244640D+01 -0.329029D+01 -0.371310D+01 -0.103869D+01
                46            47            48            49            50 
      1  -0.591685D+01  0.247484D+00  0.171828D-01  0.115230D+01  0.146173D+01
      2   0.247484D+00 -0.354151D+01 -0.468652D-01  0.146173D+01 -0.447341D+00
      3   0.171828D-01 -0.468652D-01 -0.336978D+01  0.911552D+00 -0.240233D+00
                51            52            53            54            55 
      1   0.911552D+00  0.115451D+00  0.736271D+00 -0.578286D+01 -0.306003D+01
      2  -0.240233D+00  0.736271D+00 -0.134500D+00  0.702230D+00 -0.695501D+00
      3   0.543812D+00 -0.578286D+01  0.702230D+00  0.322563D+00  0.354972D+00
                56            57            58            59            60 
      1  -0.695501D+00  0.354972D+00 -0.270729D+01 -0.138947D+01  0.190527D+01
      2  -0.808797D+00  0.171461D+01 -0.138947D+01  0.640942D+01  0.333502D+01
      3   0.171461D+01 -0.526897D+01  0.190527D+01  0.333502D+01 -0.395150D+01
                61            62            63            64            65 
      1  -0.342548D+00  0.149052D+01 -0.693105D+01 -0.977732D+01  0.339514D-01
      2   0.149052D+01  0.282176D+01 -0.944511D+00  0.339514D-01  0.108198D+01
      3  -0.693105D+01 -0.944511D+00  0.748922D+00 -0.508114D+00 -0.752619D+00
                66            67            68            69            70 
      1  -0.508114D+00  0.405578D+00  0.124077D+01 -0.115376D+01  0.282449D+01
      2  -0.752619D+00  0.124077D+01 -0.398280D+01 -0.139734D+01 -0.115236D+01
      3   0.179399D+01 -0.115376D+01 -0.139734D+01  0.550891D+00  0.386615D+01
                71            72            73            74            75 
      1  -0.115236D+01  0.386615D+01 -0.955979D+01  0.202814D+01  0.251493D+00
      2  -0.259118D+01 -0.898679D+00  0.202814D+01  0.129160D+01 -0.114357D+01
      3  -0.898679D+00  0.306489D+01  0.251493D+00 -0.114357D+01  0.578217D+01
                76            77            78            79            80 
      1   0.516996D+01  0.972252D+00 -0.159020D+01 -0.337462D+01 -0.151794D+01
      2   0.972252D+00 -0.485717D+01 -0.203514D+01 -0.151794D+01 -0.202467D+01
      3  -0.159020D+01 -0.203514D+01  0.428797D+01  0.458991D+01  0.197358D+01
                81            82            83            84            85 
      1   0.458991D+01 -0.845433D+00  0.468955D+00 -0.493130D-01  0.215708D+01
      2   0.197358D+01  0.468955D+00 -0.123163D+01 -0.232481D+00 -0.125993D-01
      3   0.473231D+01 -0.493130D-01 -0.232481D+00 -0.107536D+01  0.463299D+00
                86            87            88            89            90 
      1  -0.125993D-01  0.463299D+00  0.907003D+00  0.302274D+00  0.381497D+00
      2   0.417600D+01  0.256096D+01  0.302274D+00  0.280405D+01  0.986532D+00
      3   0.256096D+01  0.212548D+01  0.381497D+00  0.986532D+00  0.261328D+01
                91            92            93            94            95 
      1   0.132429D+00 -0.116389D+01 -0.439360D+00 -0.253677D+01  0.182392D+01
      2  -0.116389D+01  0.134766D+01  0.123045D+00  0.182392D+01 -0.729077D+01
      3  -0.439360D+00  0.123045D+00  0.100263D+01  0.411443D-01 -0.152109D+01
                96            97            98            99           100 
      1   0.411443D-01 -0.463807D+00  0.178917D+00  0.951852D+00  0.544988D+00
      2  -0.152109D+01  0.178917D+00 -0.140185D+01 -0.122483D+01  0.617098D+00
      3  -0.144912D+01  0.951852D+00 -0.122483D+01 -0.869421D+00  0.121450D+00
               101           102           103           104           105 
      1   0.617098D+00  0.121450D+00  0.194545D+01  0.630804D+00 -0.377482D+00
      2  -0.113990D+00  0.190161D+00  0.630804D+00  0.668355D+01 -0.155982D+00
      3   0.190161D+00 -0.596283D+00 -0.377482D+00 -0.155982D+00  0.142006D+01
               106           107           108           109           110 
      1   0.801161D+00  0.324336D+00 -0.329056D+00 -0.748435D-01 -0.329174D+00
      2   0.324336D+00  0.963781D+00  0.660152D+00 -0.329174D+00 -0.491102D+00
      3  -0.329056D+00  0.660152D+00 -0.363516D+00 -0.105138D+01  0.908246D-01
               111           112           113           114           115 
      1  -0.105138D+01 -0.816508D+00 -0.127066D+00  0.161120D+00 -0.140063D+01
      2   0.908246D-01 -0.127066D+00 -0.177042D+00 -0.102393D+01 -0.120105D+00
      3  -0.324222D+01  0.161120D+00 -0.102393D+01 -0.202627D+01 -0.537575D+00
               116           117           118           119           120 
      1  -0.120105D+00 -0.537575D+00  0.133804D+02 -0.749480D+00 -0.217196D+01
      2  -0.103802D+01 -0.277593D+00 -0.749480D+00  0.969047D+00 -0.125079D-01
      3  -0.277593D+00 -0.103007D+02 -0.217196D+01 -0.125079D-01  0.128723D+01
               121           122           123           124           125 
      1  -0.253821D+01  0.122756D+01  0.622560D+00 -0.183121D-01  0.246979D+00
      2   0.122756D+01 -0.459363D-01 -0.132762D+00  0.246979D+00  0.218246D+00
      3   0.622560D+00 -0.132762D+00 -0.904197D+00  0.969585D+00 -0.235528D+00
               126           127           128           129           130 
      1   0.969585D+00  0.153773D+01 -0.184428D+01 -0.163349D+00 -0.155394D+01
      2  -0.235528D+00 -0.184428D+01  0.229425D+01  0.216444D+00  0.211066D+01
      3  -0.878914D+00 -0.163349D+00  0.216444D+00  0.104848D+00  0.234445D+00
               131           132           133           134           135 
      1   0.211066D+01  0.234445D+00 -0.735923D-02  0.217096D+00 -0.290753D-01
      2  -0.919298D+01 -0.738184D+00  0.217096D+00 -0.784494D+00 -0.155758D+00
      3  -0.738184D+00 -0.794037D+00 -0.290753D-01 -0.155758D+00 -0.495589D-01
               136           137           138           139           140 
      1  -0.515916D+01 -0.405808D+01 -0.372330D+00 -0.393098D+01 -0.471482D+01
      2  -0.405808D+01 -0.368165D+01 -0.287795D+00 -0.471482D+01 -0.680932D+01
      3  -0.372330D+00 -0.287795D+00 -0.473218D+00 -0.434085D+00 -0.578183D+00
               141           142           143           144           145 
      1  -0.434085D+00 -0.323074D+00 -0.434625D+00 -0.728069D-01 -0.134169D+02
      2  -0.578183D+00 -0.434625D+00 -0.672369D+00 -0.327658D-01  0.153729D+01
      3  -0.664160D+00 -0.728069D-01 -0.327658D-01 -0.439663D-01  0.248250D+00
               146           147           148           149           150 
      1   0.153729D+01  0.248250D+00  0.153489D+01 -0.179325D+01 -0.202097D+00
      2  -0.873560D+00 -0.268090D-01 -0.179325D+01  0.529633D+00  0.503862D-01
      3  -0.268090D-01 -0.720679D+00 -0.202097D+00  0.503862D-01  0.119304D+00
               151           152           153           154           155 
      1   0.186150D+00 -0.219633D+00  0.110350D+00 -0.223904D+01  0.268179D+01
      2  -0.219633D+00  0.416249D-01  0.144676D-01  0.268179D+01 -0.290641D+01
      3   0.110350D+00  0.144676D-01  0.147760D-01  0.284561D+00 -0.293353D+00
               156           157           158           159           160 
      1   0.284561D+00  0.230944D+01 -0.401542D+01 -0.444663D+00  0.269309D+00
      2  -0.293353D+00 -0.401542D+01  0.998206D+01  0.995602D+00 -0.411267D+00
      3  -0.293142D+00 -0.444663D+00  0.995602D+00  0.798957D+00 -0.228905D-01
               161           162           163           164           165 
      1  -0.411267D+00 -0.228905D-01  0.362324D+01  0.231791D+01  0.640424D-01
      2   0.101728D+01  0.835477D-01  0.231791D+01  0.237579D+01  0.173707D+00
      3   0.835477D-01  0.586503D-01  0.640424D-01  0.173707D+00  0.251789D+00
               166           167           168           169           170 
      1   0.258100D+01  0.297530D+01  0.238260D+00 -0.768037D-01  0.219423D+00
      2   0.297530D+01  0.568672D+01  0.444977D+00  0.219423D+00  0.511023D+00
      3   0.238260D+00  0.444977D+00  0.691473D+00 -0.967999D-01  0.669265D-01
               171           172           173           174           175 
      1  -0.967999D-01  0.153293D+02 -0.234865D+00  0.319982D+01 -0.156879D+01
      2   0.669265D-01 -0.234865D+00  0.878672D+00  0.189311D+00  0.706774D+00
      3  -0.291901D-01  0.319982D+01  0.189311D+00  0.186127D+01  0.245712D+00
               176           177           178           179           180 
      1   0.706774D+00  0.245712D+00  0.121032D+01  0.514090D+00  0.630487D+00
      2  -0.468461D+00  0.550478D+00  0.514090D+00  0.275258D+00 -0.240188D+00
      3   0.550478D+00 -0.793836D+00  0.630487D+00 -0.240188D+00  0.102643D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.480832D+00 -0.113354D+00  0.252148D+01 -0.419209D+00  0.228271D+00
      2   0.571074D+00  0.154226D+01 -0.533054D+00  0.560236D+00  0.167475D+01
      3  -0.505883D+01 -0.143472D+02 -0.164970D+01  0.372564D+01  0.397487D+00
                 6             7             8             9            10 
      1  -0.417069D+01  0.493831D+01  0.519570D+00 -0.696150D+00 -0.923031D+00
      2  -0.674748D+01 -0.907491D+01 -0.101751D+02 -0.233079D+01 -0.398042D+00
      3  -0.125431D+01  0.141358D+00 -0.148298D+01  0.562460D+01  0.107921D+01
                11            12            13            14            15 
      1   0.985097D-01 -0.375807D+01  0.323454D+00 -0.656815D-01 -0.215112D+01
      2   0.206510D-01 -0.154838D+01  0.848383D+00 -0.525900D+00 -0.126229D+01
      3   0.124531D+01  0.483230D+00  0.281338D+00  0.570487D+01  0.240686D-01
                16            17            18            19            20 
      1  -0.719738D+01  0.323252D+01  0.212991D-01  0.448347D+00 -0.524704D-01
      2  -0.132174D+02 -0.139929D+00 -0.348365D+00  0.616339D+00 -0.380182D+00
      3  -0.135041D+01  0.116035D+00  0.620911D+01 -0.374549D+01  0.693015D+01
                21            22            23            24            25 
      1   0.327924D-01  0.875562D+00 -0.110315D+01  0.173130D+01  0.113331D+01
      2  -0.275205D+01 -0.661753D+00 -0.825371D+00  0.166738D+01 -0.163321D+02
      3   0.438433D+00  0.164294D+02 -0.848895D+00  0.116439D+01 -0.139770D+00
                26            27            28            29            30 
      1   0.105042D+02  0.106131D+01 -0.158076D+00 -0.153723D+00  0.275727D+01
      2  -0.165265D-01 -0.616235D+00 -0.912873D+00  0.188360D+00 -0.129136D+01
      3   0.775093D+00 -0.200046D+01  0.681058D+01 -0.428774D+01 -0.522677D+00
                31            32            33            34            35 
      1  -0.111384D+01  0.220998D+00 -0.315244D+01  0.442623D+01  0.372859D+00
      2   0.161361D+01  0.693139D+00  0.153436D+01 -0.142445D+02  0.228254D+01
      3   0.490107D+01 -0.611581D+01 -0.342372D+00 -0.125271D+01 -0.309762D+00
                36            37            38            39            40 
      1  -0.380775D+00 -0.137499D-01  0.137739D+00 -0.341037D+01  0.915858D+00
      2   0.112421D+01  0.113828D+00  0.102703D+01  0.235889D+01 -0.172270D+00
      3  -0.563058D+01 -0.396156D+01 -0.105775D+02 -0.945147D+00  0.709394D+01
                41            42            43            44            45 
      1  -0.375712D-01 -0.215832D+01 -0.716220D+01  0.411400D+01  0.205705D+00
      2  -0.194688D+01  0.799924D+01 -0.358045D+01  0.106153D+02  0.261246D+01
      3  -0.101450D+01  0.126382D+01  0.714875D+00  0.149698D+01 -0.502665D+01
                46            47            48            49            50 
      1  -0.830822D-02 -0.408682D-01  0.127666D+01 -0.399823D+00 -0.192033D+01
      2  -0.411024D+00 -0.312717D+00  0.970298D+01 -0.263025D+01  0.277859D+00
      3   0.338355D+01 -0.737576D+01  0.290912D+00  0.137661D+02  0.231367D+01
                51            52            53            54            55 
      1   0.334645D+01  0.231565D+01  0.116213D+02  0.173355D+01 -0.485993D+00
      2  -0.223087D+01  0.898343D+01 -0.234928D+01 -0.871024D+00  0.697426D+00
      3  -0.284579D+00  0.228107D+01 -0.273829D+00  0.144329D+01  0.612844D+01
                56            57            58            59            60 
      1  -0.109385D+01  0.124923D+01  0.258172D+00 -0.631813D+00 -0.521720D+01
      2   0.274239D+01 -0.714578D+01  0.161437D+01  0.710021D+01 -0.803562D+01
      3   0.352174D+01 -0.332063D+01  0.100572D+02 -0.146706D+02 -0.954470D+01
                61            62            63            64            65 
      1  -0.192800D+01 -0.185245D+01  0.139297D+01 -0.165121D+01  0.391458D+01
      2  -0.155732D+02 -0.417141D-01 -0.234331D+01  0.185341D+02 -0.119740D+01
      3  -0.535243D+00 -0.755322D+01  0.554926D+01  0.372267D+01 -0.776325D+01
                66            67            68            69            70 
      1  -0.238986D+01  0.572421D+00 -0.101268D+02 -0.914679D+01  0.356864D+00
      2   0.117134D+02  0.308790D+00 -0.624273D+01  0.243572D+01  0.374738D+01
      3   0.131638D+01 -0.855152D+00  0.113130D+02  0.647125D+01 -0.501773D+00
                71            72            73            74            75 
      1   0.981593D+00  0.262970D+01 -0.309941D+01 -0.206473D+01 -0.168806D+01
      2  -0.210019D+01  0.537020D+01 -0.118388D+02 -0.610863D-01  0.181490D+02
      3   0.804227D+01  0.645955D+00 -0.126332D+02 -0.674072D+01  0.431489D+01
                76            77            78            79            80 
      1   0.702003D-01  0.868450D+01 -0.156040D+01 -0.250965D+00  0.363557D+01
      2  -0.198366D-01 -0.371484D+01  0.822670D+01  0.722954D+01  0.335214D+01
      3  -0.937038D+00  0.170795D+02  0.546384D+01  0.470858D+01  0.498789D+01
                81            82            83            84            85 
      1  -0.993510D+01  0.238575D+01 -0.293514D+01  0.829729D+00 -0.992234D+00
      2   0.224902D+02  0.286570D+01 -0.146134D+01 -0.167216D+01 -0.303462D+01
      3  -0.477593D+01 -0.340455D+01  0.431820D+01  0.815789D-01  0.399544D+01
                86            87            88            89            90 
      1   0.112200D+02  0.302799D+01  0.469465D+00  0.633829D+01  0.145635D+01
      2   0.707078D+01  0.497440D+01 -0.566758D+00  0.188636D+01  0.466907D+01
      3  -0.106510D+02 -0.706779D+01 -0.106484D+01 -0.705282D+01 -0.248021D+01
                91            92            93            94            95 
      1   0.567690D+00 -0.259053D+00  0.771564D+00  0.107950D+00  0.166959D+01
      2  -0.118679D+01  0.209682D+00  0.261950D+01 -0.476927D+00 -0.329480D+01
      3   0.340002D+01 -0.343447D+01 -0.150422D+00  0.274498D+01  0.149751D+02
                96            97            98            99           100 
      1  -0.270082D+01  0.873313D+00  0.185183D+01 -0.497638D+00 -0.149491D+01
      2  -0.310950D+01 -0.380744D+00 -0.208382D+01 -0.120050D+01  0.290966D+00
      3   0.348685D+01  0.477426D+00  0.326547D+01  0.176280D+01 -0.361202D+01
               101           102           103           104           105 
      1   0.392424D+00  0.482040D+00  0.329496D+00 -0.107221D+02 -0.351089D+01
      2   0.759201D+00 -0.784632D+00  0.109632D+01  0.446246D+00  0.309238D+01
      3   0.108220D+01  0.304811D+00  0.395057D+01 -0.194156D+02 -0.787816D+00
               106           107           108           109           110 
      1   0.161257D+00 -0.249367D+00 -0.967838D+00  0.100262D+01  0.176972D+01
      2  -0.119412D+01  0.139243D+01 -0.102944D+01 -0.434119D+01 -0.352893D+00
      3   0.102411D+01 -0.333353D+01 -0.219860D+01  0.103889D+01  0.944799D+00
               111           112           113           114           115 
      1   0.163353D+01  0.100847D+01  0.469817D+00  0.150633D+01  0.100720D+01
      2  -0.917061D+01 -0.125753D+01 -0.230775D+01 -0.506658D+01 -0.723936D+01
      3  -0.706997D+00  0.156452D+01  0.249200D+00  0.195864D+01 -0.655900D+00
               116           117           118           119           120 
      1   0.480647D+01  0.498850D+01  0.155467D+01 -0.214030D+01 -0.204556D+00
      2  -0.131997D+01 -0.266207D+02  0.106709D+02 -0.130270D+01  0.498741D+01
      3   0.200630D+01  0.137938D+00  0.714301D+01 -0.709388D+01 -0.481885D+00
               121           122           123           124           125 
      1  -0.166623D+01  0.849300D-01 -0.687581D+00 -0.129597D+00  0.397523D+00
      2  -0.150013D+01  0.894577D+00 -0.211262D+01  0.507624D+00 -0.538360D+00
      3  -0.316680D+01 -0.357448D-01  0.209508D+00 -0.115332D+01  0.257261D-01
               126           127           128           129           130 
      1   0.561369D+00  0.181057D-01 -0.151517D+00  0.141781D+01  0.575910D-01
      2  -0.168025D+01  0.697699D+00 -0.457181D+00  0.354766D+00 -0.589709D+00
      3   0.102621D+01 -0.629473D+01  0.391823D+01  0.423328D+00  0.743572D+01
               131           132           133           134           135 
      1   0.326862D+00 -0.421095D+01 -0.511182D+00  0.211651D+01 -0.277898D-01
      2   0.106702D+01 -0.601260D+00 -0.134275D+01  0.161667D+00 -0.160957D+00
      3  -0.941438D+01 -0.100552D+01  0.607277D+00 -0.647032D+00  0.572258D-01
               136           137           138           139           140 
      1   0.801764D-01  0.287452D+00 -0.226057D+01 -0.937960D-01  0.224626D+00
      2   0.173857D-01  0.962531D-01  0.290615D+01  0.443896D+00  0.854113D+00
      3  -0.163936D+01 -0.512398D+01 -0.132259D+00 -0.385228D+01 -0.114036D+02
               141           142           143           144           145 
      1  -0.327345D+01  0.977536D+00  0.158640D+01 -0.226771D+00 -0.222006D-01
      2   0.314806D+01 -0.100234D+01 -0.776630D+00  0.155862D+00 -0.293422D+00
      3  -0.782952D+00 -0.413949D+00 -0.115758D+01  0.607870D-01  0.917066D+00
               146           147           148           149           150 
      1  -0.846384D-01  0.686580D+00  0.293868D-01 -0.184073D-01 -0.523398D+00
      2  -0.453058D-01  0.588964D+01  0.770497D+00 -0.125673D+00 -0.836024D+00
      3  -0.538226D+01  0.633538D-01 -0.403194D+01  0.170835D+01  0.126243D+00
               151           152           153           154           155 
      1  -0.443124D+00  0.507853D+00  0.150115D-01 -0.368862D-01 -0.741500D-01
      2  -0.312069D+01  0.214253D+00 -0.952049D-01 -0.121138D+00  0.131795D+00
      3  -0.947527D+00  0.244517D+00 -0.164568D+00  0.769185D+00 -0.276795D+01
               156           157           158           159           160 
      1   0.153388D+01  0.144351D+00  0.163034D+00 -0.442040D+01 -0.635538D+00
      2   0.145076D+01  0.284859D+00 -0.130237D+01 -0.263932D+01 -0.583523D+00
      3  -0.130867D+00 -0.147708D+01  0.146674D+02  0.125284D+01 -0.117696D+00
               161           162           163           164           165 
      1   0.193540D+01 -0.273282D+00  0.354439D+00  0.418189D+00 -0.232681D+01
      2   0.554003D+00 -0.189201D+00 -0.113249D+01 -0.313557D+00  0.906707D+00
      3   0.157099D+01  0.166368D+00  0.107846D+02  0.364338D+01 -0.638809D-01
               166           167           168           169           170 
      1   0.118003D+00 -0.940983D-02 -0.313446D+01  0.337060D+00  0.207893D+01
      2  -0.554034D+00 -0.582195D+00  0.168402D+01 -0.158001D+01 -0.168619D+00
      3   0.793276D+01  0.551780D+01  0.567639D+00 -0.294010D+00  0.521233D+00
               171           172           173           174           175 
      1   0.299504D-01  0.100115D+01  0.214517D+01  0.845738D+00  0.239036D+00
      2   0.903535D-01 -0.148045D+02  0.305871D+00  0.444358D+01  0.335609D+01
      3  -0.165046D+00 -0.534014D+01 -0.598866D+01 -0.742323D+00 -0.283319D+00
               176           177           178           179           180 
      1   0.203548D+00 -0.177980D+00  0.177435D+01  0.780356D+00  0.395086D-01
      2   0.789822D+00 -0.212070D+01 -0.710225D+00 -0.125584D+01  0.133693D+01
      3   0.151085D+00 -0.128244D+01 -0.152755D+01 -0.124174D+01 -0.241525D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.960102D+01  0.215326D+02  0.221399D+01 -0.232303D+02  0.115253D+02
      2  -0.957174D+01 -0.130226D+02 -0.131164D+00  0.219640D+02 -0.189919D+02
      3  -0.292843D-01 -0.850999D+01 -0.208283D+01  0.126632D+01  0.746658D+01
      4   0.174987D+02 -0.564013D+01 -0.628785D+00  0.130105D+02  0.538092D+01
      5   0.135191D+01 -0.119950D+00 -0.292952D+01 -0.331460D+00  0.383539D+01
      6  -0.170129D+01 -0.123989D+00 -0.516385D+01  0.286720D+01 -0.576103D+01
                 6             7             8             9            10 
      1   0.170332D+01 -0.245908D+01  0.138270D+01 -0.670749D+01  0.347814D+00
      2  -0.378259D+01  0.365987D+01 -0.522643D+01 -0.243640D+01 -0.167543D+01
      3   0.207926D+01 -0.120078D+01  0.384373D+01  0.914389D+01  0.132761D+01
      4   0.382613D+01 -0.260066D+00  0.423403D+01 -0.169474D+02 -0.117309D+02
      5  -0.145398D+02  0.142120D+02 -0.169887D+02 -0.465229D+01 -0.552488D+00
      6   0.977186D+01 -0.724147D+01  0.179043D+02  0.204030D+01  0.161103D+00
                11            12            13            14            15 
      1  -0.181980D+02 -0.219070D+01  0.698413D+01  0.226039D+01  0.170514D+01
      2   0.128711D+02 -0.708706D+00 -0.172474D+02 -0.630824D+01 -0.178801D+01
      3   0.532696D+01  0.289940D+01  0.102632D+02  0.404785D+01  0.828739D-01
      4  -0.138075D+02 -0.114889D+01  0.421434D+01 -0.132619D+02 -0.122545D+01
      5  -0.138359D+01 -0.252003D+01  0.123903D+01 -0.113746D+01  0.193231D+01
      6  -0.240064D+00  0.864907D+01 -0.387067D+01 -0.237998D+01  0.498843D+01
                16            17            18            19            20 
      1   0.634247D+00  0.189966D+01 -0.153344D+02 -0.207767D+02  0.461367D+01
      2  -0.352891D+01 -0.323752D+01  0.240476D+01  0.492937D+01 -0.466302D+01
      3   0.289466D+01  0.133787D+01  0.129297D+02  0.158473D+02  0.493453D-01
      4   0.114661D+01 -0.111028D+01 -0.271088D+01  0.223495D+01  0.170329D+01
      5   0.238461D+00 -0.156991D+01  0.866780D-02  0.244919D+01  0.338706D+00
      6   0.682444D+01  0.111020D+02  0.522479D+00 -0.177385D+01 -0.806886D+00
                21            22            23            24            25 
      1   0.201376D+01  0.413200D+01 -0.606158D+01 -0.141984D+00  0.639242D+00
      2  -0.692328D+00  0.156212D+01  0.148901D+02  0.362958D+01  0.138218D+01
      3  -0.132144D+01 -0.569412D+01 -0.882848D+01 -0.348760D+01 -0.202142D+01
      4   0.493915D+00 -0.856840D+01 -0.445603D+00 -0.127252D+01 -0.216599D+01
      5   0.542708D+00 -0.392127D+01 -0.108464D+01  0.301539D+01  0.106769D+02
      6  -0.187473D+01  0.848795D+00  0.176364D+01 -0.402772D+01 -0.151512D+01
                26            27            28            29            30 
      1  -0.103033D+01 -0.487441D+01  0.131603D+02  0.989877D+01  0.738590D+00
      2   0.201130D+01 -0.549251D+01 -0.972520D+01 -0.593496D+01  0.105185D+01
      3  -0.980975D+00  0.103669D+02 -0.343509D+01 -0.396381D+01 -0.179044D+01
      4  -0.888558D+00  0.752400D+00  0.262218D+01 -0.194467D+02 -0.204108D+01
      5   0.680513D+00  0.627773D+00 -0.737799D+00 -0.205322D+01 -0.433667D+01
      6   0.535584D+01 -0.149601D+01 -0.438593D+00  0.184024D+00 -0.617187D+01
                31            32            33            34            35 
      1  -0.365948D+01  0.856520D+01  0.162142D+01 -0.183925D+00  0.151545D+01
      2   0.126541D+02 -0.160813D+02 -0.319536D+01  0.186162D+01 -0.500750D+01
      3  -0.899460D+01  0.751609D+01  0.157393D+01 -0.167769D+01  0.349205D+01
      4   0.903958D+01  0.161810D+02  0.117611D+01 -0.486251D+00  0.855107D+00
      5   0.645393D+00  0.141580D+01  0.134974D+00  0.632477D+01  0.623710D+01
      6   0.275001D+01 -0.394642D+01  0.769002D+01 -0.237383D+01  0.169562D+02
                36            37            38            39            40 
      1  -0.157009D+02 -0.109760D+01 -0.251438D+02 -0.338354D+01  0.300387D+02
      2   0.342297D+01 -0.166648D+01  0.156999D+02 -0.523128D-01 -0.304334D+02
      3   0.122780D+02  0.276408D+01  0.944398D+01  0.343585D+01  0.394704D+00
      4   0.735023D+01 -0.144115D+02  0.292836D+01  0.936366D-01 -0.927556D+00
      5   0.115380D+01 -0.747857D+00 -0.459101D-01  0.510937D+01 -0.282127D+01
      6   0.248563D+01 -0.423778D+00  0.919955D+00  0.811592D+01 -0.401815D+01
                41            42            43            44            45 
      1   0.400857D+01  0.326613D+00  0.259910D+01  0.579693D+00  0.158576D+01
      2  -0.885590D+01 -0.110274D+01 -0.460826D+01 -0.333113D+01 -0.843108D+01
      3   0.484733D+01  0.776131D+00  0.200916D+01  0.275144D+01  0.684532D+01
      4  -0.123241D+02 -0.479053D+01 -0.203279D+01 -0.473813D+01  0.168489D+02
      5  -0.472503D+01  0.167041D+02  0.210245D+02  0.165985D+02  0.556088D+01
      6  -0.381527D+01  0.517708D+01  0.811809D+01  0.136319D+02  0.648709D+00
                46            47            48            49            50 
      1  -0.135879D+02  0.644716D+01  0.942558D+00 -0.901192D+01 -0.218318D+02
      2   0.816238D+01 -0.453955D+01 -0.119719D+00  0.936602D+01  0.198492D+02
      3   0.542555D+01 -0.190761D+01 -0.822839D+00 -0.354106D+00  0.198267D+01
      4   0.286465D+01  0.247419D+02  0.231761D+00 -0.239480D+02  0.297783D+01
      5   0.118738D+01  0.168798D+00  0.224158D+02 -0.602230D+01  0.806665D+00
      6   0.531563D+00  0.333469D+00 -0.315357D+01  0.137033D+01  0.266871D+01
                51            52            53            54            55 
      1  -0.396897D+01 -0.280012D+00 -0.394631D+01  0.156793D+02  0.139750D+02
      2   0.548050D+01  0.124548D+01  0.306457D+01 -0.192531D+02 -0.389850D+01
      3  -0.151153D+01 -0.965466D+00  0.881748D+00  0.357377D+01 -0.100765D+02
      4   0.139513D+01 -0.659503D+01  0.136339D+01 -0.425088D+01 -0.700691D+01
      5  -0.388417D+01  0.388003D+02 -0.385696D+01 -0.167047D+01 -0.134327D+00
      6  -0.704552D+01 -0.279286D+01  0.593023D+01 -0.257230D+01  0.356637D+01
                56            57            58            59            60 
      1  -0.398385D+01  0.294716D+01 -0.105612D+02  0.198062D+01  0.850290D+01
      2   0.288366D+01  0.804674D+00  0.139988D+02 -0.121565D+02 -0.104577D+02
      3   0.110019D+01 -0.375183D+01 -0.343760D+01  0.101758D+02  0.195482D+01
      4  -0.122462D+02  0.827515D+01 -0.647397D+01  0.294808D+02  0.166954D+02
      5   0.738190D+01 -0.264847D+02  0.121284D+02  0.159473D+02 -0.188321D+02
      6   0.681668D+00 -0.368807D+00  0.564671D+01 -0.676567D+01  0.159714D+01
                61            62            63            64            65 
      1   0.429349D+01  0.285656D+01 -0.103536D+02 -0.506543D+02  0.269925D+01
      2   0.275794D+01 -0.449763D+01  0.140037D+02  0.244155D+02 -0.304428D+00
      3  -0.705143D+01  0.164108D+01 -0.365011D+01  0.262389D+02 -0.239482D+01
      4   0.936602D+01  0.141254D+02 -0.684862D+01  0.472856D+01  0.128747D+02
      5  -0.466087D+02 -0.764365D+01  0.661266D+01 -0.220721D+02 -0.505526D+01
      6  -0.463934D+01 -0.125490D+02  0.724825D+01 -0.212200D+01  0.639384D+01
                66            67            68            69            70 
      1  -0.853492D+01  0.359748D+00  0.739896D+01  0.101828D+00 -0.610586D+01
      2   0.129880D+01  0.991936D+00  0.334833D+01 -0.883253D+00 -0.644039D+01
      3   0.723611D+01 -0.135168D+01 -0.107473D+02  0.781424D+00  0.125462D+02
      4  -0.569900D+01  0.109432D+02 -0.188684D+02 -0.628487D+01 -0.759551D+01
      5   0.135656D+02 -0.688024D+01 -0.338488D+01  0.218700D-01  0.275057D+02
      6  -0.312785D+01  0.346369D+01 -0.156626D+02 -0.273892D+01 -0.952078D+00
                71            72            73            74            75 
      1  -0.858284D+00 -0.835595D+01 -0.575348D+02  0.885925D+01  0.138965D+02
      2   0.191406D+01 -0.194074D+02  0.322745D+02 -0.289596D+01  0.289260D+01
      3  -0.105578D+01  0.277634D+02  0.252603D+02 -0.596329D+01 -0.167891D+02
      4  -0.125281D+02 -0.373362D+01  0.110932D+02  0.101787D+02 -0.561234D+01
      5  -0.364232D+01  0.168099D+02  0.171739D+02 -0.832591D+01  0.250916D+02
      6   0.389430D+01 -0.529372D+01 -0.712292D+01 -0.415756D+01  0.300571D+01
                76            77            78            79            80 
      1   0.169348D+02  0.791565D+01  0.151386D+00 -0.323568D+00  0.116399D+01
      2  -0.122797D+02 -0.159075D+02  0.675893D+01  0.730975D+01  0.108580D+00
      3  -0.465510D+01  0.799186D+01 -0.691031D+01 -0.698618D+01 -0.127257D+01
      4   0.700719D+01 -0.243186D+02 -0.108932D+02 -0.979209D+01 -0.102828D+02
      5  -0.144792D+02 -0.127162D+02  0.202825D+02  0.246972D+02  0.106343D+02
      6  -0.437547D+01  0.767923D+01  0.592934D+01  0.469859D+01  0.659110D+01
                81            82            83            84            85 
      1   0.287240D+02 -0.132571D+01  0.240826D+01  0.337054D+01  0.821131D+01
      2  -0.164848D+00  0.174693D+01 -0.139955D+01 -0.406044D+00 -0.522188D+01
      3  -0.285591D+02 -0.421224D+00 -0.100871D+01 -0.296450D+01 -0.298943D+01
      4   0.133765D+02  0.141698D+01 -0.545620D+01 -0.212585D+00  0.176810D+01
      5   0.703139D+01  0.188602D+00  0.832695D+00 -0.291872D+01  0.564128D+01
      6  -0.119950D+02  0.208115D+01 -0.366010D+01 -0.218874D+00 -0.494712D-01
                86            87            88            89            90 
      1  -0.104042D+02 -0.446739D+01  0.287478D+01 -0.217929D+01 -0.467803D+01
      2   0.527448D+01  0.713347D-01 -0.196752D+01 -0.267411D+00 -0.150007D+01
      3   0.512973D+01  0.439605D+01 -0.907264D+00  0.244670D+01  0.617811D+01
      4   0.189322D+02  0.118209D+02  0.185698D+01  0.130927D+02  0.376571D+01
      5   0.935862D+01  0.887502D+01  0.439241D+01  0.385056D+01  0.972869D+01
      6   0.155906D+02  0.122587D+02  0.349550D+00  0.114879D+02  0.363137D+01
                91            92            93            94            95 
      1   0.338442D+01 -0.320950D+01 -0.884395D+00 -0.246211D+01 -0.112548D+02
      2   0.259857D+01 -0.351063D+00  0.232235D+00 -0.302294D+01  0.262207D+02
      3  -0.598299D+01  0.356056D+01  0.652160D+00  0.548505D+01 -0.149659D+02
      4  -0.724380D+01  0.126760D+02  0.158217D+01  0.127617D+02 -0.325335D+02
      5  -0.212697D+01  0.143430D+01  0.678734D+01  0.109391D+01 -0.637417D+01
      6   0.193020D+01 -0.139122D+01  0.983980D-01 -0.149320D+01  0.834355D+01
                96            97            98            99           100 
      1  -0.249978D+01 -0.335528D+00 -0.207440D+01 -0.290137D+01  0.508042D+01
      2   0.510218D+01 -0.247496D+00  0.284329D+01  0.230028D+01 -0.321867D+00
      3  -0.260240D+01  0.583025D+00 -0.768889D+00  0.601085D+00 -0.475855D+01
      4  -0.711027D+01  0.157951D+01 -0.633830D+01 -0.500927D+01  0.259384D+01
      5  -0.645254D+01  0.630059D+01 -0.428563D+01 -0.374659D+01 -0.125123D+01
      6   0.568562D+01 -0.917091D+00  0.938172D+01  0.313611D+01 -0.210135D+00
               101           102           103           104           105 
      1   0.348104D+01 -0.252753D+01  0.635906D+01 -0.112950D+02  0.128028D+01
      2  -0.178796D+01  0.946146D-01 -0.251989D+01  0.244506D+02  0.195148D+01
      3  -0.169308D+01  0.243291D+01 -0.383917D+01 -0.131556D+02 -0.323176D+01
      4   0.240464D+01  0.800100D+00  0.794943D+01  0.337337D+02 -0.582248D+00
      5  -0.197134D+00 -0.159362D+01 -0.448870D+01  0.351888D+00  0.704978D+01
      6   0.503032D+00 -0.130317D+01 -0.157743D+01 -0.145345D+02  0.448328D+01
               106           107           108           109           110 
      1   0.200776D+01  0.139960D+01 -0.450768D+01 -0.184269D+01 -0.170714D+01
      2  -0.109496D+01  0.205562D+01  0.177987D+01 -0.299288D+01  0.303501D+00
      3  -0.912794D+00 -0.345522D+01  0.272780D+01  0.483557D+01  0.140364D+01
      4   0.300744D+01  0.553867D+01  0.255266D+01 -0.176033D+01 -0.177566D+01
      5  -0.523382D+00  0.299769D+01 -0.436279D+00 -0.110693D+01  0.101657D+01
      6   0.101315D-01  0.373438D+01  0.500566D+00  0.783011D+00  0.260656D+01
               111           112           113           114           115 
      1  -0.130391D+02 -0.325815D+01 -0.539986D+01 -0.414357D+01 -0.950583D+01
      2  -0.245351D+01  0.205111D+01  0.120623D+01 -0.250255D+01  0.257757D+01
      3   0.154926D+02  0.120704D+01  0.419363D+01  0.664612D+01  0.692827D+01
      4  -0.568496D+00  0.560762D+00 -0.664073D+00 -0.389755D+01 -0.180167D+01
      5  -0.513365D+01  0.268499D+01 -0.274167D+01 -0.781645D+01  0.593621D+01
      6   0.355696D+00  0.797149D+00  0.148467D+01  0.866909D+01 -0.242647D+00
               116           117           118           119           120 
      1  -0.124512D+01 -0.321264D+02  0.848907D+02 -0.631183D+01 -0.897812D+01
      2  -0.149306D+01 -0.177617D+02 -0.477775D+02  0.364145D+01  0.838817D+01
      3   0.273818D+01  0.498881D+02 -0.371133D+02  0.267039D+01  0.589955D+00
      4  -0.468280D+01 -0.303932D+01 -0.180711D+01  0.103638D+02  0.834092D-01
      5  -0.832888D+00 -0.369892D+02 -0.338905D+02  0.172629D+01  0.150098D+02
      6   0.661502D+01 -0.145499D+00  0.210745D+01 -0.354726D+01  0.439725D+00
               121           122           123           124           125 
      1  -0.138579D+02  0.681806D+01  0.968979D+00  0.921794D+00  0.444238D+00
      2   0.773641D+01 -0.135018D+01 -0.228536D+01  0.234358D+01 -0.598553D+00
      3   0.612152D+01 -0.546788D+01  0.131638D+01 -0.326537D+01  0.154315D+00
      4   0.114411D+02 -0.144670D+01 -0.129101D+01  0.120912D+01  0.534046D+00
      5   0.698124D+01 -0.259868D+01 -0.552030D+01  0.114268D+02 -0.164318D+01
      6  -0.347423D+01  0.650517D+00  0.131412D+01  0.213114D+00  0.769172D+00
               126           127           128           129           130 
      1   0.392771D+01 -0.548901D+01  0.899873D+01  0.906628D+00  0.800498D+01
      2  -0.553404D+01  0.738216D+01 -0.115191D+02 -0.811445D+00 -0.101514D+02
      3   0.160633D+01 -0.189315D+01  0.252041D+01 -0.951827D-01  0.214646D+01
      4  -0.161266D+01 -0.389943D+01  0.761793D+01  0.630187D+00  0.509501D+01
      5  -0.600609D+01 -0.344830D+00  0.659322D+00  0.143911D+01  0.533622D+00
      6   0.477417D+00  0.994042D+00 -0.130223D+01 -0.156423D+01 -0.127672D+01
               131           132           133           134           135 
      1  -0.358764D+02 -0.315761D+01  0.801554D+00 -0.302713D+01 -0.128557D+01
      2   0.491220D+02  0.314481D+01 -0.125172D+01  0.402499D+01  0.213634D+01
      3  -0.132457D+02  0.128004D-01  0.450166D+00 -0.997860D+00 -0.850770D+00
      4   0.109963D+01  0.244694D+00  0.423970D+00  0.382436D-01 -0.113314D+01
      5   0.269165D+00 -0.342808D+00  0.647778D+00 -0.522248D+00 -0.308804D+00
      6   0.541537D+01  0.643151D+01 -0.197939D+00  0.204589D+01  0.819324D+00
               136           137           138           139           140 
      1   0.233329D+02  0.149448D+02  0.136355D+01  0.941098D+01  0.401165D+01
      2  -0.410303D+01  0.781999D+00 -0.442631D+00  0.728866D+01  0.174978D+02
      3  -0.192299D+02 -0.157268D+02 -0.920915D+00 -0.166996D+02 -0.215094D+02
      4   0.352878D+02  0.320112D+02  0.232897D+01  0.357971D+02  0.461030D+02
      5   0.360445D+01  0.265031D+01  0.570405D+01  0.363954D+01  0.424422D+01
      6   0.154861D+01  0.133503D+01  0.280345D+01  0.238645D+01  0.329683D+01
               141           142           143           144           145 
      1   0.379600D+00  0.811214D+00  0.186755D+00 -0.505078D-01  0.101969D+03
      2   0.521955D+00  0.619657D+00  0.147146D+01  0.101937D+01 -0.571224D+02
      3  -0.901555D+00 -0.143087D+01 -0.165822D+01 -0.968863D+00 -0.448469D+02
      4   0.376429D+01  0.341621D+01  0.405567D+01  0.172721D+01 -0.168969D+02
      5   0.458503D+01  0.126014D+01  0.135273D+01  0.575205D+00 -0.198459D+01
      6   0.537268D+01  0.112558D+01  0.161504D+01  0.840175D+00 -0.112043D+01
               146           147           148           149           150 
      1  -0.104710D+02 -0.171507D+01 -0.957732D+01  0.103734D+02  0.891955D+00
      2   0.516119D+01  0.108505D+01  0.399994D+01 -0.471668D+01 -0.782374D+00
      3   0.530981D+01  0.630024D+00  0.557738D+01 -0.565669D+01 -0.109582D+00
      4   0.100390D+02  0.180377D+00  0.173579D+02 -0.542258D+01 -0.510532D+00
      5   0.946153D-01  0.902867D+01  0.172412D+01 -0.422192D+00 -0.113413D+01
      6   0.266021D-01 -0.820119D+00 -0.182496D+00 -0.106020D+00  0.178262D+01
               151           152           153           154           155 
      1  -0.154306D+01  0.963278D+00  0.220022D+01  0.502159D+01 -0.450544D+01
      2   0.759858D+00 -0.531882D+00 -0.105668D+01  0.434917D+01 -0.613332D+01
      3   0.783203D+00 -0.431396D+00 -0.114354D+01 -0.937076D+01  0.106388D+02
      4   0.180525D+01 -0.605455D+00 -0.372184D+00 -0.188905D+02  0.245178D+02
      5   0.965402D+00 -0.223137D+00 -0.315974D+00 -0.183546D+01  0.206193D+01
      6  -0.525344D-01  0.531924D+00  0.219317D+00  0.143570D+01 -0.156200D+01
               156           157           158           159           160 
      1  -0.521000D+00  0.157066D+01 -0.177306D+02 -0.170917D+01  0.131765D+00
      2  -0.276142D+00 -0.133079D+02  0.427458D+02  0.298517D+01 -0.114474D+01
      3   0.797143D+00  0.117372D+02 -0.250152D+02 -0.127600D+01  0.101297D+01
      4   0.224552D+01  0.254221D+02 -0.501618D+02 -0.482000D+01  0.250914D+01
      5   0.368481D+01  0.243761D+01 -0.444917D+01 -0.422638D+01  0.104377D+01
      6  -0.198750D+01 -0.252654D+01  0.611520D+01  0.700015D+01 -0.120942D+01
               161           162           163           164           165 
      1  -0.170799D+01 -0.108783D+01 -0.427609D+01 -0.669708D+01 -0.829968D+00
      2   0.386583D+01  0.206405D+01  0.598350D+01  0.954523D+01  0.752522D+00
      3  -0.215785D+01 -0.976226D+00 -0.170741D+01 -0.284815D+01  0.774460D-01
      4  -0.512745D+01 -0.162186D+01  0.875545D+01  0.837771D+01  0.456048D+00
      5  -0.916990D+00 -0.613139D+00 -0.647937D-01  0.358045D+00  0.222009D+01
      6   0.218730D+01  0.119210D+01  0.590012D+00  0.115416D+01  0.171090D+01
               166           167           168           169           170 
      1  -0.880300D+01 -0.209313D+02 -0.216518D+01 -0.762515D+00 -0.174583D+01
      2   0.118297D+02  0.281568D+02  0.180597D+01  0.134108D+01  0.232919D+01
      3  -0.302674D+01 -0.722555D+01  0.359201D+00 -0.578567D+00 -0.583355D+00
      4   0.846456D+01  0.881442D+01  0.515142D+00  0.645830D+00  0.733186D+00
      5   0.400171D+00  0.514130D+00  0.172823D+01  0.686123D+00  0.491270D+00
      6   0.135843D+01  0.288790D+01  0.453954D+01  0.197260D+00  0.140037D+01
               171           172           173           174           175 
      1  -0.176515D+00  0.805556D+02 -0.229980D+01  0.132359D+02 -0.826296D+01
      2   0.101169D+01 -0.453542D+02  0.985608D+00 -0.100189D+02  0.209770D+01
      3  -0.835177D+00 -0.352014D+02  0.131419D+01 -0.321698D+01  0.616526D+01
      4   0.184945D+01 -0.443191D+01  0.850568D+01  0.787822D+00  0.763610D+01
      5  -0.727609D-02  0.401631D+02  0.735373D+00  0.164900D+02 -0.204870D+00
      6   0.496932D+00 -0.816234D+00  0.265298D+01  0.575718D+00  0.624281D+00
               176           177           178           179           180 
      1   0.221554D+01  0.310162D+01  0.627199D+01  0.390416D+01  0.190918D+01
      2  -0.969427D+00 -0.163476D+01 -0.508701D+01 -0.101637D+01 -0.321992D+01
      3  -0.124611D+01 -0.146686D+01 -0.118498D+01 -0.288780D+01  0.131073D+01
      4  -0.223913D+01  0.250903D+01  0.376331D+01  0.173150D+01 -0.943188D+00
      5   0.289093D+01 -0.158056D+01  0.954366D+01  0.299982D+00  0.590576D+01
      6  -0.646744D+00  0.229292D+01  0.161458D+01  0.198285D+01 -0.478289D+00
 Leave Link  716 at Thu Aug 12 20:16:37 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.138551D+03  0.101701D+01 -0.731331D+00
      2   0.101701D+01  0.110568D+03  0.227790D+01
      3  -0.731331D+00  0.227790D+01  0.811719D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.151941D+01 -0.158967D+01 -0.110569D+01
      2   0.153856D+01 -0.848231D+01  0.203213D+02
      3  -0.589839D+01  0.361377D+02  0.758263D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.634036D+02  0.233282D+01  0.436046D+01
      2   0.122393D+02  0.375267D+01  0.536674D+01
      3   0.511643D+02 -0.608549D+01 -0.972721D+01
      4   0.108685D+02 -0.752061D+02 -0.190678D+02
      5  -0.899504D+01 -0.182364D+02  0.555054D+02
      6  -0.589133D+01 -0.575972D+01  0.269817D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.407899D+01 -0.988892D+00 -0.235517D+00  0.565401D+01 -0.406235D+00
      2  -0.988892D+00 -0.232822D+01 -0.787981D-01 -0.406235D+00  0.117904D+01
      3  -0.235517D+00 -0.787981D-01 -0.109718D+01  0.193282D+00 -0.627588D+00
                 6             7             8             9            10 
      1   0.193282D+00  0.748181D+00  0.231817D+00 -0.200717D+01 -0.324109D+01
      2  -0.627588D+00  0.231817D+00 -0.681655D+00  0.431410D+01 -0.751043D+00
      3   0.284562D+01 -0.200717D+01  0.431410D+01  0.135705D+01  0.876531D-01
                11            12            13            14            15 
      1  -0.751043D+00  0.876531D-01  0.890625D+01  0.171855D+00  0.131793D-01
      2   0.414838D+01  0.233419D+00  0.171855D+00  0.112660D+01 -0.292010D+00
      3   0.233419D+00  0.219522D+01  0.131793D-01 -0.292010D+00  0.161777D+01
                16            17            18            19            20 
      1   0.885507D+00 -0.575195D-01  0.170079D+01  0.172299D+02 -0.148017D+01
      2  -0.575195D-01 -0.615746D+00  0.329382D+01 -0.148017D+01  0.250584D+01
      3   0.170079D+01  0.329382D+01  0.840832D+00  0.138967D+00  0.252853D+00
                21            22            23            24            25 
      1   0.138967D+00 -0.257616D+01 -0.158889D+01 -0.100637D+01 -0.275352D+00
      2   0.252853D+00 -0.158889D+01 -0.814778D+00 -0.204962D+00 -0.671157D+00
      3   0.196623D+01 -0.100637D+01 -0.204962D+00  0.513736D+00  0.451795D+01
                26            27            28            29            30 
      1  -0.671157D+00  0.451795D+01 -0.499436D+01  0.282447D+01  0.205388D+00
      2  -0.271640D-01 -0.321494D+00  0.282447D+01  0.298005D+01  0.799671D-01
      3  -0.321494D+00 -0.726522D-02  0.205388D+00  0.799671D-01  0.164021D+01
                31            32            33            34            35 
      1  -0.719623D+01 -0.508033D-02 -0.698667D-01 -0.685417D+00 -0.230901D+00
      2  -0.508033D-02 -0.154899D+01  0.338488D+00 -0.230901D+00  0.560572D+00
      3  -0.698667D-01  0.338488D+00 -0.248554D+01  0.138100D+01 -0.405090D+01
                36            37            38            39            40 
      1   0.138100D+01  0.242780D+01 -0.461707D+00  0.175431D-01 -0.639110D+01
      2  -0.405090D+01 -0.461707D+00 -0.389643D+01 -0.389545D+00  0.731219D+00
      3  -0.119845D+01  0.175431D-01 -0.389545D+00 -0.174875D+01  0.248711D+00
                41            42            43            44            45 
      1   0.731219D+00  0.248711D+00 -0.979655D+00  0.353777D+00 -0.329029D+01
      2  -0.137434D+00  0.671495D+00  0.353777D+00  0.758044D+00 -0.371310D+01
      3   0.671495D+00 -0.244640D+01 -0.329029D+01 -0.371310D+01 -0.103869D+01
                46            47            48            49            50 
      1  -0.591685D+01  0.247484D+00  0.171828D-01  0.115230D+01  0.146173D+01
      2   0.247484D+00 -0.354151D+01 -0.468652D-01  0.146173D+01 -0.447341D+00
      3   0.171828D-01 -0.468652D-01 -0.336978D+01  0.911552D+00 -0.240233D+00
                51            52            53            54            55 
      1   0.911552D+00  0.115451D+00  0.736271D+00 -0.578286D+01 -0.306003D+01
      2  -0.240233D+00  0.736271D+00 -0.134500D+00  0.702230D+00 -0.695501D+00
      3   0.543812D+00 -0.578286D+01  0.702230D+00  0.322563D+00  0.354972D+00
                56            57            58            59            60 
      1  -0.695501D+00  0.354972D+00 -0.270729D+01 -0.138947D+01  0.190527D+01
      2  -0.808797D+00  0.171461D+01 -0.138947D+01  0.640942D+01  0.333502D+01
      3   0.171461D+01 -0.526897D+01  0.190527D+01  0.333502D+01 -0.395150D+01
                61            62            63            64            65 
      1  -0.342548D+00  0.149052D+01 -0.693105D+01 -0.977732D+01  0.339514D-01
      2   0.149052D+01  0.282176D+01 -0.944511D+00  0.339514D-01  0.108198D+01
      3  -0.693105D+01 -0.944511D+00  0.748922D+00 -0.508114D+00 -0.752619D+00
                66            67            68            69            70 
      1  -0.508114D+00  0.405578D+00  0.124077D+01 -0.115376D+01  0.282449D+01
      2  -0.752619D+00  0.124077D+01 -0.398280D+01 -0.139734D+01 -0.115236D+01
      3   0.179399D+01 -0.115376D+01 -0.139734D+01  0.550891D+00  0.386615D+01
                71            72            73            74            75 
      1  -0.115236D+01  0.386615D+01 -0.955979D+01  0.202814D+01  0.251493D+00
      2  -0.259118D+01 -0.898679D+00  0.202814D+01  0.129160D+01 -0.114357D+01
      3  -0.898679D+00  0.306489D+01  0.251493D+00 -0.114357D+01  0.578217D+01
                76            77            78            79            80 
      1   0.516996D+01  0.972252D+00 -0.159020D+01 -0.337462D+01 -0.151794D+01
      2   0.972252D+00 -0.485717D+01 -0.203514D+01 -0.151794D+01 -0.202467D+01
      3  -0.159020D+01 -0.203514D+01  0.428797D+01  0.458991D+01  0.197358D+01
                81            82            83            84            85 
      1   0.458991D+01 -0.845433D+00  0.468955D+00 -0.493130D-01  0.215708D+01
      2   0.197358D+01  0.468955D+00 -0.123163D+01 -0.232481D+00 -0.125993D-01
      3   0.473231D+01 -0.493130D-01 -0.232481D+00 -0.107536D+01  0.463299D+00
                86            87            88            89            90 
      1  -0.125993D-01  0.463299D+00  0.907003D+00  0.302274D+00  0.381497D+00
      2   0.417600D+01  0.256096D+01  0.302274D+00  0.280405D+01  0.986532D+00
      3   0.256096D+01  0.212548D+01  0.381497D+00  0.986532D+00  0.261328D+01
                91            92            93            94            95 
      1   0.132429D+00 -0.116389D+01 -0.439360D+00 -0.253677D+01  0.182392D+01
      2  -0.116389D+01  0.134766D+01  0.123045D+00  0.182392D+01 -0.729077D+01
      3  -0.439360D+00  0.123045D+00  0.100263D+01  0.411443D-01 -0.152109D+01
                96            97            98            99           100 
      1   0.411443D-01 -0.463807D+00  0.178917D+00  0.951852D+00  0.544988D+00
      2  -0.152109D+01  0.178917D+00 -0.140185D+01 -0.122483D+01  0.617098D+00
      3  -0.144912D+01  0.951852D+00 -0.122483D+01 -0.869421D+00  0.121450D+00
               101           102           103           104           105 
      1   0.617098D+00  0.121450D+00  0.194545D+01  0.630804D+00 -0.377482D+00
      2  -0.113990D+00  0.190161D+00  0.630804D+00  0.668355D+01 -0.155982D+00
      3   0.190161D+00 -0.596283D+00 -0.377482D+00 -0.155982D+00  0.142006D+01
               106           107           108           109           110 
      1   0.801161D+00  0.324336D+00 -0.329056D+00 -0.748435D-01 -0.329174D+00
      2   0.324336D+00  0.963781D+00  0.660152D+00 -0.329174D+00 -0.491102D+00
      3  -0.329056D+00  0.660152D+00 -0.363516D+00 -0.105138D+01  0.908246D-01
               111           112           113           114           115 
      1  -0.105138D+01 -0.816508D+00 -0.127066D+00  0.161120D+00 -0.140063D+01
      2   0.908246D-01 -0.127066D+00 -0.177042D+00 -0.102393D+01 -0.120105D+00
      3  -0.324222D+01  0.161120D+00 -0.102393D+01 -0.202627D+01 -0.537575D+00
               116           117           118           119           120 
      1  -0.120105D+00 -0.537575D+00  0.133804D+02 -0.749480D+00 -0.217196D+01
      2  -0.103802D+01 -0.277593D+00 -0.749480D+00  0.969047D+00 -0.125079D-01
      3  -0.277593D+00 -0.103007D+02 -0.217196D+01 -0.125079D-01  0.128723D+01
               121           122           123           124           125 
      1  -0.253821D+01  0.122756D+01  0.622560D+00 -0.183121D-01  0.246979D+00
      2   0.122756D+01 -0.459363D-01 -0.132762D+00  0.246979D+00  0.218246D+00
      3   0.622560D+00 -0.132762D+00 -0.904197D+00  0.969585D+00 -0.235528D+00
               126           127           128           129           130 
      1   0.969585D+00  0.153773D+01 -0.184428D+01 -0.163349D+00 -0.155394D+01
      2  -0.235528D+00 -0.184428D+01  0.229425D+01  0.216444D+00  0.211066D+01
      3  -0.878914D+00 -0.163349D+00  0.216444D+00  0.104848D+00  0.234445D+00
               131           132           133           134           135 
      1   0.211066D+01  0.234445D+00 -0.735923D-02  0.217096D+00 -0.290753D-01
      2  -0.919298D+01 -0.738184D+00  0.217096D+00 -0.784494D+00 -0.155758D+00
      3  -0.738184D+00 -0.794037D+00 -0.290753D-01 -0.155758D+00 -0.495589D-01
               136           137           138           139           140 
      1  -0.515916D+01 -0.405808D+01 -0.372330D+00 -0.393098D+01 -0.471482D+01
      2  -0.405808D+01 -0.368165D+01 -0.287795D+00 -0.471482D+01 -0.680932D+01
      3  -0.372330D+00 -0.287795D+00 -0.473218D+00 -0.434085D+00 -0.578183D+00
               141           142           143           144           145 
      1  -0.434085D+00 -0.323074D+00 -0.434625D+00 -0.728069D-01 -0.134169D+02
      2  -0.578183D+00 -0.434625D+00 -0.672369D+00 -0.327658D-01  0.153729D+01
      3  -0.664160D+00 -0.728069D-01 -0.327658D-01 -0.439663D-01  0.248250D+00
               146           147           148           149           150 
      1   0.153729D+01  0.248250D+00  0.153489D+01 -0.179325D+01 -0.202097D+00
      2  -0.873560D+00 -0.268090D-01 -0.179325D+01  0.529633D+00  0.503862D-01
      3  -0.268090D-01 -0.720679D+00 -0.202097D+00  0.503862D-01  0.119304D+00
               151           152           153           154           155 
      1   0.186150D+00 -0.219633D+00  0.110350D+00 -0.223904D+01  0.268179D+01
      2  -0.219633D+00  0.416249D-01  0.144676D-01  0.268179D+01 -0.290641D+01
      3   0.110350D+00  0.144676D-01  0.147760D-01  0.284561D+00 -0.293353D+00
               156           157           158           159           160 
      1   0.284561D+00  0.230944D+01 -0.401542D+01 -0.444663D+00  0.269309D+00
      2  -0.293353D+00 -0.401542D+01  0.998206D+01  0.995602D+00 -0.411267D+00
      3  -0.293142D+00 -0.444663D+00  0.995602D+00  0.798957D+00 -0.228905D-01
               161           162           163           164           165 
      1  -0.411267D+00 -0.228905D-01  0.362324D+01  0.231791D+01  0.640424D-01
      2   0.101728D+01  0.835477D-01  0.231791D+01  0.237579D+01  0.173707D+00
      3   0.835477D-01  0.586503D-01  0.640424D-01  0.173707D+00  0.251789D+00
               166           167           168           169           170 
      1   0.258100D+01  0.297530D+01  0.238260D+00 -0.768037D-01  0.219423D+00
      2   0.297530D+01  0.568672D+01  0.444977D+00  0.219423D+00  0.511023D+00
      3   0.238260D+00  0.444977D+00  0.691473D+00 -0.967999D-01  0.669265D-01
               171           172           173           174           175 
      1  -0.967999D-01  0.153293D+02 -0.234865D+00  0.319982D+01 -0.156879D+01
      2   0.669265D-01 -0.234865D+00  0.878672D+00  0.189311D+00  0.706774D+00
      3  -0.291901D-01  0.319982D+01  0.189311D+00  0.186127D+01  0.245712D+00
               176           177           178           179           180 
      1   0.706774D+00  0.245712D+00  0.121032D+01  0.514090D+00  0.630487D+00
      2  -0.468461D+00  0.550478D+00  0.514090D+00  0.275258D+00 -0.240188D+00
      3   0.550478D+00 -0.793836D+00  0.630487D+00 -0.240188D+00  0.102643D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.480832D+00 -0.113354D+00  0.252148D+01 -0.419209D+00  0.228271D+00
      2   0.571074D+00  0.154226D+01 -0.533054D+00  0.560236D+00  0.167475D+01
      3  -0.505883D+01 -0.143472D+02 -0.164970D+01  0.372564D+01  0.397487D+00
                 6             7             8             9            10 
      1  -0.417069D+01  0.493831D+01  0.519570D+00 -0.696150D+00 -0.923031D+00
      2  -0.674748D+01 -0.907491D+01 -0.101751D+02 -0.233079D+01 -0.398042D+00
      3  -0.125431D+01  0.141358D+00 -0.148298D+01  0.562460D+01  0.107921D+01
                11            12            13            14            15 
      1   0.985097D-01 -0.375807D+01  0.323454D+00 -0.656815D-01 -0.215112D+01
      2   0.206510D-01 -0.154838D+01  0.848383D+00 -0.525900D+00 -0.126229D+01
      3   0.124531D+01  0.483230D+00  0.281338D+00  0.570487D+01  0.240686D-01
                16            17            18            19            20 
      1  -0.719738D+01  0.323252D+01  0.212991D-01  0.448347D+00 -0.524704D-01
      2  -0.132174D+02 -0.139929D+00 -0.348365D+00  0.616339D+00 -0.380182D+00
      3  -0.135041D+01  0.116035D+00  0.620911D+01 -0.374549D+01  0.693015D+01
                21            22            23            24            25 
      1   0.327924D-01  0.875562D+00 -0.110315D+01  0.173130D+01  0.113331D+01
      2  -0.275205D+01 -0.661753D+00 -0.825371D+00  0.166738D+01 -0.163321D+02
      3   0.438433D+00  0.164294D+02 -0.848895D+00  0.116439D+01 -0.139770D+00
                26            27            28            29            30 
      1   0.105042D+02  0.106131D+01 -0.158076D+00 -0.153723D+00  0.275727D+01
      2  -0.165265D-01 -0.616235D+00 -0.912873D+00  0.188360D+00 -0.129136D+01
      3   0.775093D+00 -0.200046D+01  0.681058D+01 -0.428774D+01 -0.522677D+00
                31            32            33            34            35 
      1  -0.111384D+01  0.220998D+00 -0.315244D+01  0.442623D+01  0.372859D+00
      2   0.161361D+01  0.693139D+00  0.153436D+01 -0.142445D+02  0.228254D+01
      3   0.490107D+01 -0.611581D+01 -0.342372D+00 -0.125271D+01 -0.309762D+00
                36            37            38            39            40 
      1  -0.380775D+00 -0.137499D-01  0.137739D+00 -0.341037D+01  0.915858D+00
      2   0.112421D+01  0.113828D+00  0.102703D+01  0.235889D+01 -0.172270D+00
      3  -0.563058D+01 -0.396156D+01 -0.105775D+02 -0.945147D+00  0.709394D+01
                41            42            43            44            45 
      1  -0.375712D-01 -0.215832D+01 -0.716220D+01  0.411400D+01  0.205705D+00
      2  -0.194688D+01  0.799924D+01 -0.358045D+01  0.106153D+02  0.261246D+01
      3  -0.101450D+01  0.126382D+01  0.714875D+00  0.149698D+01 -0.502665D+01
                46            47            48            49            50 
      1  -0.830822D-02 -0.408682D-01  0.127666D+01 -0.399823D+00 -0.192033D+01
      2  -0.411024D+00 -0.312717D+00  0.970298D+01 -0.263025D+01  0.277859D+00
      3   0.338355D+01 -0.737576D+01  0.290912D+00  0.137661D+02  0.231367D+01
                51            52            53            54            55 
      1   0.334645D+01  0.231565D+01  0.116213D+02  0.173355D+01 -0.485993D+00
      2  -0.223087D+01  0.898343D+01 -0.234928D+01 -0.871024D+00  0.697426D+00
      3  -0.284579D+00  0.228107D+01 -0.273829D+00  0.144329D+01  0.612844D+01
                56            57            58            59            60 
      1  -0.109385D+01  0.124923D+01  0.258172D+00 -0.631813D+00 -0.521720D+01
      2   0.274239D+01 -0.714578D+01  0.161437D+01  0.710021D+01 -0.803562D+01
      3   0.352174D+01 -0.332063D+01  0.100572D+02 -0.146706D+02 -0.954470D+01
                61            62            63            64            65 
      1  -0.192800D+01 -0.185245D+01  0.139297D+01 -0.165121D+01  0.391458D+01
      2  -0.155732D+02 -0.417141D-01 -0.234331D+01  0.185341D+02 -0.119740D+01
      3  -0.535243D+00 -0.755322D+01  0.554926D+01  0.372267D+01 -0.776325D+01
                66            67            68            69            70 
      1  -0.238986D+01  0.572421D+00 -0.101268D+02 -0.914679D+01  0.356864D+00
      2   0.117134D+02  0.308790D+00 -0.624273D+01  0.243572D+01  0.374738D+01
      3   0.131638D+01 -0.855152D+00  0.113130D+02  0.647125D+01 -0.501773D+00
                71            72            73            74            75 
      1   0.981593D+00  0.262970D+01 -0.309941D+01 -0.206473D+01 -0.168806D+01
      2  -0.210019D+01  0.537020D+01 -0.118388D+02 -0.610863D-01  0.181490D+02
      3   0.804227D+01  0.645955D+00 -0.126332D+02 -0.674072D+01  0.431489D+01
                76            77            78            79            80 
      1   0.702003D-01  0.868450D+01 -0.156040D+01 -0.250965D+00  0.363557D+01
      2  -0.198366D-01 -0.371484D+01  0.822670D+01  0.722954D+01  0.335214D+01
      3  -0.937038D+00  0.170795D+02  0.546384D+01  0.470858D+01  0.498789D+01
                81            82            83            84            85 
      1  -0.993510D+01  0.238575D+01 -0.293514D+01  0.829729D+00 -0.992234D+00
      2   0.224902D+02  0.286570D+01 -0.146134D+01 -0.167216D+01 -0.303462D+01
      3  -0.477593D+01 -0.340455D+01  0.431820D+01  0.815789D-01  0.399544D+01
                86            87            88            89            90 
      1   0.112200D+02  0.302799D+01  0.469465D+00  0.633829D+01  0.145635D+01
      2   0.707078D+01  0.497440D+01 -0.566758D+00  0.188636D+01  0.466907D+01
      3  -0.106510D+02 -0.706779D+01 -0.106484D+01 -0.705282D+01 -0.248021D+01
                91            92            93            94            95 
      1   0.567690D+00 -0.259053D+00  0.771564D+00  0.107950D+00  0.166959D+01
      2  -0.118679D+01  0.209682D+00  0.261950D+01 -0.476927D+00 -0.329480D+01
      3   0.340002D+01 -0.343447D+01 -0.150422D+00  0.274498D+01  0.149751D+02
                96            97            98            99           100 
      1  -0.270082D+01  0.873313D+00  0.185183D+01 -0.497638D+00 -0.149491D+01
      2  -0.310950D+01 -0.380744D+00 -0.208382D+01 -0.120050D+01  0.290966D+00
      3   0.348685D+01  0.477426D+00  0.326547D+01  0.176280D+01 -0.361202D+01
               101           102           103           104           105 
      1   0.392424D+00  0.482040D+00  0.329496D+00 -0.107221D+02 -0.351089D+01
      2   0.759201D+00 -0.784632D+00  0.109632D+01  0.446246D+00  0.309238D+01
      3   0.108220D+01  0.304811D+00  0.395057D+01 -0.194156D+02 -0.787816D+00
               106           107           108           109           110 
      1   0.161257D+00 -0.249367D+00 -0.967838D+00  0.100262D+01  0.176972D+01
      2  -0.119412D+01  0.139243D+01 -0.102944D+01 -0.434119D+01 -0.352893D+00
      3   0.102411D+01 -0.333353D+01 -0.219860D+01  0.103889D+01  0.944799D+00
               111           112           113           114           115 
      1   0.163353D+01  0.100847D+01  0.469817D+00  0.150633D+01  0.100720D+01
      2  -0.917061D+01 -0.125753D+01 -0.230775D+01 -0.506658D+01 -0.723936D+01
      3  -0.706997D+00  0.156452D+01  0.249200D+00  0.195864D+01 -0.655900D+00
               116           117           118           119           120 
      1   0.480647D+01  0.498850D+01  0.155467D+01 -0.214030D+01 -0.204556D+00
      2  -0.131997D+01 -0.266207D+02  0.106709D+02 -0.130270D+01  0.498741D+01
      3   0.200630D+01  0.137938D+00  0.714301D+01 -0.709388D+01 -0.481885D+00
               121           122           123           124           125 
      1  -0.166623D+01  0.849300D-01 -0.687581D+00 -0.129597D+00  0.397523D+00
      2  -0.150013D+01  0.894577D+00 -0.211262D+01  0.507624D+00 -0.538360D+00
      3  -0.316680D+01 -0.357448D-01  0.209508D+00 -0.115332D+01  0.257261D-01
               126           127           128           129           130 
      1   0.561369D+00  0.181057D-01 -0.151517D+00  0.141781D+01  0.575910D-01
      2  -0.168025D+01  0.697699D+00 -0.457181D+00  0.354766D+00 -0.589709D+00
      3   0.102621D+01 -0.629473D+01  0.391823D+01  0.423328D+00  0.743572D+01
               131           132           133           134           135 
      1   0.326862D+00 -0.421095D+01 -0.511182D+00  0.211651D+01 -0.277898D-01
      2   0.106702D+01 -0.601260D+00 -0.134275D+01  0.161667D+00 -0.160957D+00
      3  -0.941438D+01 -0.100552D+01  0.607277D+00 -0.647032D+00  0.572258D-01
               136           137           138           139           140 
      1   0.801764D-01  0.287452D+00 -0.226057D+01 -0.937960D-01  0.224626D+00
      2   0.173857D-01  0.962531D-01  0.290615D+01  0.443896D+00  0.854113D+00
      3  -0.163936D+01 -0.512398D+01 -0.132259D+00 -0.385228D+01 -0.114036D+02
               141           142           143           144           145 
      1  -0.327345D+01  0.977536D+00  0.158640D+01 -0.226771D+00 -0.222006D-01
      2   0.314806D+01 -0.100234D+01 -0.776630D+00  0.155862D+00 -0.293422D+00
      3  -0.782952D+00 -0.413949D+00 -0.115758D+01  0.607870D-01  0.917066D+00
               146           147           148           149           150 
      1  -0.846384D-01  0.686580D+00  0.293868D-01 -0.184073D-01 -0.523398D+00
      2  -0.453058D-01  0.588964D+01  0.770497D+00 -0.125673D+00 -0.836024D+00
      3  -0.538226D+01  0.633538D-01 -0.403194D+01  0.170835D+01  0.126243D+00
               151           152           153           154           155 
      1  -0.443124D+00  0.507853D+00  0.150115D-01 -0.368862D-01 -0.741500D-01
      2  -0.312069D+01  0.214253D+00 -0.952049D-01 -0.121138D+00  0.131795D+00
      3  -0.947527D+00  0.244517D+00 -0.164568D+00  0.769185D+00 -0.276795D+01
               156           157           158           159           160 
      1   0.153388D+01  0.144351D+00  0.163034D+00 -0.442040D+01 -0.635538D+00
      2   0.145076D+01  0.284859D+00 -0.130237D+01 -0.263932D+01 -0.583523D+00
      3  -0.130867D+00 -0.147708D+01  0.146674D+02  0.125284D+01 -0.117696D+00
               161           162           163           164           165 
      1   0.193540D+01 -0.273282D+00  0.354439D+00  0.418189D+00 -0.232681D+01
      2   0.554003D+00 -0.189201D+00 -0.113249D+01 -0.313557D+00  0.906707D+00
      3   0.157099D+01  0.166368D+00  0.107846D+02  0.364338D+01 -0.638809D-01
               166           167           168           169           170 
      1   0.118003D+00 -0.940983D-02 -0.313446D+01  0.337060D+00  0.207893D+01
      2  -0.554034D+00 -0.582195D+00  0.168402D+01 -0.158001D+01 -0.168619D+00
      3   0.793276D+01  0.551780D+01  0.567639D+00 -0.294010D+00  0.521233D+00
               171           172           173           174           175 
      1   0.299504D-01  0.100115D+01  0.214517D+01  0.845738D+00  0.239036D+00
      2   0.903535D-01 -0.148045D+02  0.305871D+00  0.444358D+01  0.335609D+01
      3  -0.165046D+00 -0.534014D+01 -0.598866D+01 -0.742323D+00 -0.283319D+00
               176           177           178           179           180 
      1   0.203548D+00 -0.177980D+00  0.177435D+01  0.780356D+00  0.395086D-01
      2   0.789822D+00 -0.212070D+01 -0.710225D+00 -0.125584D+01  0.133693D+01
      3   0.151085D+00 -0.128244D+01 -0.152755D+01 -0.124174D+01 -0.241525D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.960102D+01  0.215326D+02  0.221399D+01 -0.232303D+02  0.115253D+02
      2  -0.957174D+01 -0.130226D+02 -0.131164D+00  0.219640D+02 -0.189919D+02
      3  -0.292843D-01 -0.850999D+01 -0.208283D+01  0.126632D+01  0.746658D+01
      4   0.174987D+02 -0.564013D+01 -0.628785D+00  0.130105D+02  0.538092D+01
      5   0.135191D+01 -0.119950D+00 -0.292952D+01 -0.331460D+00  0.383539D+01
      6  -0.170129D+01 -0.123989D+00 -0.516385D+01  0.286720D+01 -0.576103D+01
                 6             7             8             9            10 
      1   0.170332D+01 -0.245908D+01  0.138270D+01 -0.670749D+01  0.347814D+00
      2  -0.378259D+01  0.365987D+01 -0.522643D+01 -0.243640D+01 -0.167543D+01
      3   0.207926D+01 -0.120078D+01  0.384373D+01  0.914389D+01  0.132761D+01
      4   0.382613D+01 -0.260066D+00  0.423403D+01 -0.169474D+02 -0.117309D+02
      5  -0.145398D+02  0.142120D+02 -0.169887D+02 -0.465229D+01 -0.552488D+00
      6   0.977186D+01 -0.724147D+01  0.179043D+02  0.204030D+01  0.161103D+00
                11            12            13            14            15 
      1  -0.181980D+02 -0.219070D+01  0.698413D+01  0.226039D+01  0.170514D+01
      2   0.128711D+02 -0.708706D+00 -0.172474D+02 -0.630824D+01 -0.178801D+01
      3   0.532696D+01  0.289940D+01  0.102632D+02  0.404785D+01  0.828739D-01
      4  -0.138075D+02 -0.114889D+01  0.421434D+01 -0.132619D+02 -0.122545D+01
      5  -0.138359D+01 -0.252003D+01  0.123903D+01 -0.113746D+01  0.193231D+01
      6  -0.240064D+00  0.864907D+01 -0.387067D+01 -0.237998D+01  0.498843D+01
                16            17            18            19            20 
      1   0.634247D+00  0.189966D+01 -0.153344D+02 -0.207767D+02  0.461367D+01
      2  -0.352891D+01 -0.323752D+01  0.240476D+01  0.492937D+01 -0.466302D+01
      3   0.289466D+01  0.133787D+01  0.129297D+02  0.158473D+02  0.493453D-01
      4   0.114661D+01 -0.111028D+01 -0.271088D+01  0.223495D+01  0.170329D+01
      5   0.238461D+00 -0.156991D+01  0.866780D-02  0.244919D+01  0.338706D+00
      6   0.682444D+01  0.111020D+02  0.522479D+00 -0.177385D+01 -0.806886D+00
                21            22            23            24            25 
      1   0.201376D+01  0.413200D+01 -0.606158D+01 -0.141984D+00  0.639242D+00
      2  -0.692328D+00  0.156212D+01  0.148901D+02  0.362958D+01  0.138218D+01
      3  -0.132144D+01 -0.569412D+01 -0.882848D+01 -0.348760D+01 -0.202142D+01
      4   0.493915D+00 -0.856840D+01 -0.445603D+00 -0.127252D+01 -0.216599D+01
      5   0.542708D+00 -0.392127D+01 -0.108464D+01  0.301539D+01  0.106769D+02
      6  -0.187473D+01  0.848795D+00  0.176364D+01 -0.402772D+01 -0.151512D+01
                26            27            28            29            30 
      1  -0.103033D+01 -0.487441D+01  0.131603D+02  0.989877D+01  0.738590D+00
      2   0.201130D+01 -0.549251D+01 -0.972520D+01 -0.593496D+01  0.105185D+01
      3  -0.980975D+00  0.103669D+02 -0.343509D+01 -0.396381D+01 -0.179044D+01
      4  -0.888558D+00  0.752400D+00  0.262218D+01 -0.194467D+02 -0.204108D+01
      5   0.680513D+00  0.627773D+00 -0.737799D+00 -0.205322D+01 -0.433667D+01
      6   0.535584D+01 -0.149601D+01 -0.438593D+00  0.184024D+00 -0.617187D+01
                31            32            33            34            35 
      1  -0.365948D+01  0.856520D+01  0.162142D+01 -0.183925D+00  0.151545D+01
      2   0.126541D+02 -0.160813D+02 -0.319536D+01  0.186162D+01 -0.500750D+01
      3  -0.899460D+01  0.751609D+01  0.157393D+01 -0.167769D+01  0.349205D+01
      4   0.903958D+01  0.161810D+02  0.117611D+01 -0.486251D+00  0.855107D+00
      5   0.645393D+00  0.141580D+01  0.134974D+00  0.632477D+01  0.623710D+01
      6   0.275001D+01 -0.394642D+01  0.769002D+01 -0.237383D+01  0.169562D+02
                36            37            38            39            40 
      1  -0.157009D+02 -0.109760D+01 -0.251438D+02 -0.338354D+01  0.300387D+02
      2   0.342297D+01 -0.166648D+01  0.156999D+02 -0.523128D-01 -0.304334D+02
      3   0.122780D+02  0.276408D+01  0.944398D+01  0.343585D+01  0.394704D+00
      4   0.735023D+01 -0.144115D+02  0.292836D+01  0.936366D-01 -0.927556D+00
      5   0.115380D+01 -0.747857D+00 -0.459101D-01  0.510937D+01 -0.282127D+01
      6   0.248563D+01 -0.423778D+00  0.919955D+00  0.811592D+01 -0.401815D+01
                41            42            43            44            45 
      1   0.400857D+01  0.326613D+00  0.259910D+01  0.579693D+00  0.158576D+01
      2  -0.885590D+01 -0.110274D+01 -0.460826D+01 -0.333113D+01 -0.843108D+01
      3   0.484733D+01  0.776131D+00  0.200916D+01  0.275144D+01  0.684532D+01
      4  -0.123241D+02 -0.479053D+01 -0.203279D+01 -0.473813D+01  0.168489D+02
      5  -0.472503D+01  0.167041D+02  0.210245D+02  0.165985D+02  0.556088D+01
      6  -0.381527D+01  0.517708D+01  0.811809D+01  0.136319D+02  0.648709D+00
                46            47            48            49            50 
      1  -0.135879D+02  0.644716D+01  0.942558D+00 -0.901192D+01 -0.218318D+02
      2   0.816238D+01 -0.453955D+01 -0.119719D+00  0.936602D+01  0.198492D+02
      3   0.542555D+01 -0.190761D+01 -0.822839D+00 -0.354106D+00  0.198267D+01
      4   0.286465D+01  0.247419D+02  0.231761D+00 -0.239480D+02  0.297783D+01
      5   0.118738D+01  0.168798D+00  0.224158D+02 -0.602230D+01  0.806665D+00
      6   0.531563D+00  0.333469D+00 -0.315357D+01  0.137033D+01  0.266871D+01
                51            52            53            54            55 
      1  -0.396897D+01 -0.280012D+00 -0.394631D+01  0.156793D+02  0.139750D+02
      2   0.548050D+01  0.124548D+01  0.306457D+01 -0.192531D+02 -0.389850D+01
      3  -0.151153D+01 -0.965466D+00  0.881748D+00  0.357377D+01 -0.100765D+02
      4   0.139513D+01 -0.659503D+01  0.136339D+01 -0.425088D+01 -0.700691D+01
      5  -0.388417D+01  0.388003D+02 -0.385696D+01 -0.167047D+01 -0.134327D+00
      6  -0.704552D+01 -0.279286D+01  0.593023D+01 -0.257230D+01  0.356637D+01
                56            57            58            59            60 
      1  -0.398385D+01  0.294716D+01 -0.105612D+02  0.198062D+01  0.850290D+01
      2   0.288366D+01  0.804674D+00  0.139988D+02 -0.121565D+02 -0.104577D+02
      3   0.110019D+01 -0.375183D+01 -0.343760D+01  0.101758D+02  0.195482D+01
      4  -0.122462D+02  0.827515D+01 -0.647397D+01  0.294808D+02  0.166954D+02
      5   0.738190D+01 -0.264847D+02  0.121284D+02  0.159473D+02 -0.188321D+02
      6   0.681668D+00 -0.368807D+00  0.564671D+01 -0.676567D+01  0.159714D+01
                61            62            63            64            65 
      1   0.429349D+01  0.285656D+01 -0.103536D+02 -0.506543D+02  0.269925D+01
      2   0.275794D+01 -0.449763D+01  0.140037D+02  0.244155D+02 -0.304428D+00
      3  -0.705143D+01  0.164108D+01 -0.365011D+01  0.262389D+02 -0.239482D+01
      4   0.936602D+01  0.141254D+02 -0.684862D+01  0.472856D+01  0.128747D+02
      5  -0.466087D+02 -0.764365D+01  0.661266D+01 -0.220721D+02 -0.505526D+01
      6  -0.463934D+01 -0.125490D+02  0.724825D+01 -0.212200D+01  0.639384D+01
                66            67            68            69            70 
      1  -0.853492D+01  0.359748D+00  0.739896D+01  0.101828D+00 -0.610586D+01
      2   0.129880D+01  0.991936D+00  0.334833D+01 -0.883253D+00 -0.644039D+01
      3   0.723611D+01 -0.135168D+01 -0.107473D+02  0.781424D+00  0.125462D+02
      4  -0.569900D+01  0.109432D+02 -0.188684D+02 -0.628487D+01 -0.759551D+01
      5   0.135656D+02 -0.688024D+01 -0.338488D+01  0.218700D-01  0.275057D+02
      6  -0.312785D+01  0.346369D+01 -0.156626D+02 -0.273892D+01 -0.952078D+00
                71            72            73            74            75 
      1  -0.858284D+00 -0.835595D+01 -0.575348D+02  0.885925D+01  0.138965D+02
      2   0.191406D+01 -0.194074D+02  0.322745D+02 -0.289596D+01  0.289260D+01
      3  -0.105578D+01  0.277634D+02  0.252603D+02 -0.596329D+01 -0.167891D+02
      4  -0.125281D+02 -0.373362D+01  0.110932D+02  0.101787D+02 -0.561234D+01
      5  -0.364232D+01  0.168099D+02  0.171739D+02 -0.832591D+01  0.250916D+02
      6   0.389430D+01 -0.529372D+01 -0.712292D+01 -0.415756D+01  0.300571D+01
                76            77            78            79            80 
      1   0.169348D+02  0.791565D+01  0.151386D+00 -0.323568D+00  0.116399D+01
      2  -0.122797D+02 -0.159075D+02  0.675893D+01  0.730975D+01  0.108580D+00
      3  -0.465510D+01  0.799186D+01 -0.691031D+01 -0.698618D+01 -0.127257D+01
      4   0.700719D+01 -0.243186D+02 -0.108932D+02 -0.979209D+01 -0.102828D+02
      5  -0.144792D+02 -0.127162D+02  0.202825D+02  0.246972D+02  0.106343D+02
      6  -0.437547D+01  0.767923D+01  0.592934D+01  0.469859D+01  0.659110D+01
                81            82            83            84            85 
      1   0.287240D+02 -0.132571D+01  0.240826D+01  0.337054D+01  0.821131D+01
      2  -0.164848D+00  0.174693D+01 -0.139955D+01 -0.406044D+00 -0.522188D+01
      3  -0.285591D+02 -0.421224D+00 -0.100871D+01 -0.296450D+01 -0.298943D+01
      4   0.133765D+02  0.141698D+01 -0.545620D+01 -0.212585D+00  0.176810D+01
      5   0.703139D+01  0.188602D+00  0.832695D+00 -0.291872D+01  0.564128D+01
      6  -0.119950D+02  0.208115D+01 -0.366010D+01 -0.218874D+00 -0.494712D-01
                86            87            88            89            90 
      1  -0.104042D+02 -0.446739D+01  0.287478D+01 -0.217929D+01 -0.467803D+01
      2   0.527448D+01  0.713347D-01 -0.196752D+01 -0.267411D+00 -0.150007D+01
      3   0.512973D+01  0.439605D+01 -0.907264D+00  0.244670D+01  0.617811D+01
      4   0.189322D+02  0.118209D+02  0.185698D+01  0.130927D+02  0.376571D+01
      5   0.935862D+01  0.887502D+01  0.439241D+01  0.385056D+01  0.972869D+01
      6   0.155906D+02  0.122587D+02  0.349550D+00  0.114879D+02  0.363137D+01
                91            92            93            94            95 
      1   0.338442D+01 -0.320950D+01 -0.884395D+00 -0.246211D+01 -0.112548D+02
      2   0.259857D+01 -0.351063D+00  0.232235D+00 -0.302294D+01  0.262207D+02
      3  -0.598299D+01  0.356056D+01  0.652160D+00  0.548505D+01 -0.149659D+02
      4  -0.724380D+01  0.126760D+02  0.158217D+01  0.127617D+02 -0.325335D+02
      5  -0.212697D+01  0.143430D+01  0.678734D+01  0.109391D+01 -0.637417D+01
      6   0.193020D+01 -0.139122D+01  0.983980D-01 -0.149320D+01  0.834355D+01
                96            97            98            99           100 
      1  -0.249978D+01 -0.335528D+00 -0.207440D+01 -0.290137D+01  0.508042D+01
      2   0.510218D+01 -0.247496D+00  0.284329D+01  0.230028D+01 -0.321867D+00
      3  -0.260240D+01  0.583025D+00 -0.768889D+00  0.601085D+00 -0.475855D+01
      4  -0.711027D+01  0.157951D+01 -0.633830D+01 -0.500927D+01  0.259384D+01
      5  -0.645254D+01  0.630059D+01 -0.428563D+01 -0.374659D+01 -0.125123D+01
      6   0.568562D+01 -0.917091D+00  0.938172D+01  0.313611D+01 -0.210135D+00
               101           102           103           104           105 
      1   0.348104D+01 -0.252753D+01  0.635906D+01 -0.112950D+02  0.128028D+01
      2  -0.178796D+01  0.946146D-01 -0.251989D+01  0.244506D+02  0.195148D+01
      3  -0.169308D+01  0.243291D+01 -0.383917D+01 -0.131556D+02 -0.323176D+01
      4   0.240464D+01  0.800100D+00  0.794943D+01  0.337337D+02 -0.582248D+00
      5  -0.197134D+00 -0.159362D+01 -0.448870D+01  0.351888D+00  0.704978D+01
      6   0.503032D+00 -0.130317D+01 -0.157743D+01 -0.145345D+02  0.448328D+01
               106           107           108           109           110 
      1   0.200776D+01  0.139960D+01 -0.450768D+01 -0.184269D+01 -0.170714D+01
      2  -0.109496D+01  0.205562D+01  0.177987D+01 -0.299288D+01  0.303501D+00
      3  -0.912794D+00 -0.345522D+01  0.272780D+01  0.483557D+01  0.140364D+01
      4   0.300744D+01  0.553867D+01  0.255266D+01 -0.176033D+01 -0.177566D+01
      5  -0.523382D+00  0.299769D+01 -0.436279D+00 -0.110693D+01  0.101657D+01
      6   0.101315D-01  0.373438D+01  0.500566D+00  0.783011D+00  0.260656D+01
               111           112           113           114           115 
      1  -0.130391D+02 -0.325815D+01 -0.539986D+01 -0.414357D+01 -0.950583D+01
      2  -0.245351D+01  0.205111D+01  0.120623D+01 -0.250255D+01  0.257757D+01
      3   0.154926D+02  0.120704D+01  0.419363D+01  0.664612D+01  0.692827D+01
      4  -0.568496D+00  0.560762D+00 -0.664073D+00 -0.389755D+01 -0.180167D+01
      5  -0.513365D+01  0.268499D+01 -0.274167D+01 -0.781645D+01  0.593621D+01
      6   0.355696D+00  0.797149D+00  0.148467D+01  0.866909D+01 -0.242647D+00
               116           117           118           119           120 
      1  -0.124512D+01 -0.321264D+02  0.848907D+02 -0.631183D+01 -0.897812D+01
      2  -0.149306D+01 -0.177617D+02 -0.477775D+02  0.364145D+01  0.838817D+01
      3   0.273818D+01  0.498881D+02 -0.371133D+02  0.267039D+01  0.589955D+00
      4  -0.468280D+01 -0.303932D+01 -0.180711D+01  0.103638D+02  0.834092D-01
      5  -0.832888D+00 -0.369892D+02 -0.338905D+02  0.172629D+01  0.150098D+02
      6   0.661502D+01 -0.145499D+00  0.210745D+01 -0.354726D+01  0.439725D+00
               121           122           123           124           125 
      1  -0.138579D+02  0.681806D+01  0.968979D+00  0.921794D+00  0.444238D+00
      2   0.773641D+01 -0.135018D+01 -0.228536D+01  0.234358D+01 -0.598553D+00
      3   0.612152D+01 -0.546788D+01  0.131638D+01 -0.326537D+01  0.154315D+00
      4   0.114411D+02 -0.144670D+01 -0.129101D+01  0.120912D+01  0.534046D+00
      5   0.698124D+01 -0.259868D+01 -0.552030D+01  0.114268D+02 -0.164318D+01
      6  -0.347423D+01  0.650517D+00  0.131412D+01  0.213114D+00  0.769172D+00
               126           127           128           129           130 
      1   0.392771D+01 -0.548901D+01  0.899873D+01  0.906628D+00  0.800498D+01
      2  -0.553404D+01  0.738216D+01 -0.115191D+02 -0.811445D+00 -0.101514D+02
      3   0.160633D+01 -0.189315D+01  0.252041D+01 -0.951827D-01  0.214646D+01
      4  -0.161266D+01 -0.389943D+01  0.761793D+01  0.630187D+00  0.509501D+01
      5  -0.600609D+01 -0.344830D+00  0.659322D+00  0.143911D+01  0.533622D+00
      6   0.477417D+00  0.994042D+00 -0.130223D+01 -0.156423D+01 -0.127672D+01
               131           132           133           134           135 
      1  -0.358764D+02 -0.315761D+01  0.801554D+00 -0.302713D+01 -0.128557D+01
      2   0.491220D+02  0.314481D+01 -0.125172D+01  0.402499D+01  0.213634D+01
      3  -0.132457D+02  0.128004D-01  0.450166D+00 -0.997860D+00 -0.850770D+00
      4   0.109963D+01  0.244694D+00  0.423970D+00  0.382436D-01 -0.113314D+01
      5   0.269165D+00 -0.342808D+00  0.647778D+00 -0.522248D+00 -0.308804D+00
      6   0.541537D+01  0.643151D+01 -0.197939D+00  0.204589D+01  0.819324D+00
               136           137           138           139           140 
      1   0.233329D+02  0.149448D+02  0.136355D+01  0.941098D+01  0.401165D+01
      2  -0.410303D+01  0.781999D+00 -0.442631D+00  0.728866D+01  0.174978D+02
      3  -0.192299D+02 -0.157268D+02 -0.920915D+00 -0.166996D+02 -0.215094D+02
      4   0.352878D+02  0.320112D+02  0.232897D+01  0.357971D+02  0.461030D+02
      5   0.360445D+01  0.265031D+01  0.570405D+01  0.363954D+01  0.424422D+01
      6   0.154861D+01  0.133503D+01  0.280345D+01  0.238645D+01  0.329683D+01
               141           142           143           144           145 
      1   0.379600D+00  0.811214D+00  0.186755D+00 -0.505078D-01  0.101969D+03
      2   0.521955D+00  0.619657D+00  0.147146D+01  0.101937D+01 -0.571224D+02
      3  -0.901555D+00 -0.143087D+01 -0.165822D+01 -0.968863D+00 -0.448469D+02
      4   0.376429D+01  0.341621D+01  0.405567D+01  0.172721D+01 -0.168969D+02
      5   0.458503D+01  0.126014D+01  0.135273D+01  0.575205D+00 -0.198459D+01
      6   0.537268D+01  0.112558D+01  0.161504D+01  0.840175D+00 -0.112043D+01
               146           147           148           149           150 
      1  -0.104710D+02 -0.171507D+01 -0.957732D+01  0.103734D+02  0.891955D+00
      2   0.516119D+01  0.108505D+01  0.399994D+01 -0.471668D+01 -0.782374D+00
      3   0.530981D+01  0.630024D+00  0.557738D+01 -0.565669D+01 -0.109582D+00
      4   0.100390D+02  0.180377D+00  0.173579D+02 -0.542258D+01 -0.510532D+00
      5   0.946153D-01  0.902867D+01  0.172412D+01 -0.422192D+00 -0.113413D+01
      6   0.266021D-01 -0.820119D+00 -0.182496D+00 -0.106020D+00  0.178262D+01
               151           152           153           154           155 
      1  -0.154306D+01  0.963278D+00  0.220022D+01  0.502159D+01 -0.450544D+01
      2   0.759858D+00 -0.531882D+00 -0.105668D+01  0.434917D+01 -0.613332D+01
      3   0.783203D+00 -0.431396D+00 -0.114354D+01 -0.937076D+01  0.106388D+02
      4   0.180525D+01 -0.605455D+00 -0.372184D+00 -0.188905D+02  0.245178D+02
      5   0.965402D+00 -0.223137D+00 -0.315974D+00 -0.183546D+01  0.206193D+01
      6  -0.525344D-01  0.531924D+00  0.219317D+00  0.143570D+01 -0.156200D+01
               156           157           158           159           160 
      1  -0.521000D+00  0.157066D+01 -0.177306D+02 -0.170917D+01  0.131765D+00
      2  -0.276142D+00 -0.133079D+02  0.427458D+02  0.298517D+01 -0.114474D+01
      3   0.797143D+00  0.117372D+02 -0.250152D+02 -0.127600D+01  0.101297D+01
      4   0.224552D+01  0.254221D+02 -0.501618D+02 -0.482000D+01  0.250914D+01
      5   0.368481D+01  0.243761D+01 -0.444917D+01 -0.422638D+01  0.104377D+01
      6  -0.198750D+01 -0.252654D+01  0.611520D+01  0.700015D+01 -0.120942D+01
               161           162           163           164           165 
      1  -0.170799D+01 -0.108783D+01 -0.427609D+01 -0.669708D+01 -0.829968D+00
      2   0.386583D+01  0.206405D+01  0.598350D+01  0.954523D+01  0.752522D+00
      3  -0.215785D+01 -0.976226D+00 -0.170741D+01 -0.284815D+01  0.774460D-01
      4  -0.512745D+01 -0.162186D+01  0.875545D+01  0.837771D+01  0.456048D+00
      5  -0.916990D+00 -0.613139D+00 -0.647937D-01  0.358045D+00  0.222009D+01
      6   0.218730D+01  0.119210D+01  0.590012D+00  0.115416D+01  0.171090D+01
               166           167           168           169           170 
      1  -0.880300D+01 -0.209313D+02 -0.216518D+01 -0.762515D+00 -0.174583D+01
      2   0.118297D+02  0.281568D+02  0.180597D+01  0.134108D+01  0.232919D+01
      3  -0.302674D+01 -0.722555D+01  0.359201D+00 -0.578567D+00 -0.583355D+00
      4   0.846456D+01  0.881442D+01  0.515142D+00  0.645830D+00  0.733186D+00
      5   0.400171D+00  0.514130D+00  0.172823D+01  0.686123D+00  0.491270D+00
      6   0.135843D+01  0.288790D+01  0.453954D+01  0.197260D+00  0.140037D+01
               171           172           173           174           175 
      1  -0.176515D+00  0.805556D+02 -0.229980D+01  0.132359D+02 -0.826296D+01
      2   0.101169D+01 -0.453542D+02  0.985608D+00 -0.100189D+02  0.209770D+01
      3  -0.835177D+00 -0.352014D+02  0.131419D+01 -0.321698D+01  0.616526D+01
      4   0.184945D+01 -0.443191D+01  0.850568D+01  0.787822D+00  0.763610D+01
      5  -0.727609D-02  0.401631D+02  0.735373D+00  0.164900D+02 -0.204870D+00
      6   0.496932D+00 -0.816234D+00  0.265298D+01  0.575718D+00  0.624281D+00
               176           177           178           179           180 
      1   0.221554D+01  0.310162D+01  0.627199D+01  0.390416D+01  0.190918D+01
      2  -0.969427D+00 -0.163476D+01 -0.508701D+01 -0.101637D+01 -0.321992D+01
      3  -0.124611D+01 -0.146686D+01 -0.118498D+01 -0.288780D+01  0.131073D+01
      4  -0.223913D+01  0.250903D+01  0.376331D+01  0.173150D+01 -0.943188D+00
      5   0.289093D+01 -0.158056D+01  0.954366D+01  0.299982D+00  0.590576D+01
      6  -0.646744D+00  0.229292D+01  0.161458D+01  0.198285D+01 -0.478289D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.488528D+00      0.124171D+01      0.414191D+01
   x          0.245672D+00      0.624437D+00      0.208290D+01
   y          0.306186D+00      0.778248D+00      0.259596D+01
   z         -0.290782D+00     -0.739095D+00     -0.246536D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.990668D+02      0.146802D+02      0.163339D+02
   aniso      0.481404D+02      0.713368D+01      0.793729D+01
   xx         0.126027D+03      0.186753D+02      0.207790D+02
   yx         0.233992D+00      0.346741D-01      0.385801D-01
   yy         0.100325D+03      0.148666D+02      0.165413D+02
   zx        -0.475344D+00     -0.704387D-01     -0.783737D-01
   zy         0.314265D+01      0.465692D+00      0.518152D+00
   zz         0.708488D+02      0.104987D+02      0.116814D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.110097D+03      0.163147D+02      0.181525D+02
   aniso      0.499001D+02      0.739443D+01      0.822741D+01
   xx         0.138551D+03      0.205311D+02      0.228439D+02
   yx         0.101701D+01      0.150705D+00      0.167682D+00
   yy         0.110568D+03      0.163845D+02      0.182303D+02
   zx        -0.731331D+00     -0.108372D+00     -0.120580D+00
   zy         0.227790D+01      0.337550D+00      0.375575D+00
   zz         0.811719D+02      0.120284D+02      0.133834D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -3.16264946         -2.64831002         -0.27778944
     6         -0.93351667         -1.80403370          0.82033765
     6          0.26368603          0.37719244         -0.05123014
     6         -0.83459396          1.69448755         -2.04621225
     6         -3.07174258          0.86616067         -3.14556156
     6         -4.24272983         -1.31177548         -2.26499903
     6          2.71662331          1.28124023          1.11439242
     7          4.77041665         -0.43212748          0.35650236
     6          2.49356907          1.66247434          3.97928923
     1          4.34187185         -2.23750951          0.83547126
     1          3.15080572          3.11696807          0.27079024
     1          2.09365808         -0.11848481          4.94091989
     1          0.98361194          2.99179990          4.43991829
     1          4.26260304          2.40891876          4.73766965
     1          0.08062436          3.38429690         -2.75161921
     1         -3.89567118          1.91962729         -4.69371475
     1         -5.98359732         -1.96365186         -3.11810447
     1         -4.06203660         -4.34703777          0.42313092
     1         -0.12779218         -2.86030940          2.37789561
     1          6.39112054          0.02566040          1.27275774

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.488528D+00      0.124171D+01      0.414191D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.488528D+00      0.124171D+01      0.414191D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.990668D+02      0.146802D+02      0.163339D+02
   aniso      0.481404D+02      0.713368D+01      0.793729D+01
   xx         0.109965D+03      0.162951D+02      0.181308D+02
   yx         0.128074D+02      0.189786D+01      0.211165D+01
   yy         0.927666D+02      0.137466D+02      0.152951D+02
   zx         0.212773D+02      0.315296D+01      0.350815D+01
   zy        -0.812091D+01     -0.120339D+01     -0.133896D+01
   zz         0.944689D+02      0.139988D+02      0.155758D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.110097D+03      0.163147D+02      0.181525D+02
   aniso      0.499001D+02      0.739443D+01      0.822741D+01
   xx         0.121538D+03      0.180101D+02      0.200389D+02
   yx         0.129645D+02      0.192114D+01      0.213755D+01
   yy         0.102144D+03      0.151361D+02      0.168412D+02
   zx         0.222427D+02      0.329603D+01      0.366732D+01
   zy        -0.800210D+01     -0.118579D+01     -0.131937D+01
   zz         0.106609D+03      0.157979D+02      0.175775D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-16\Freq\RB3LYP\Gen\C8H11N1\PIERPA\12-Aug-2021\0\\#P B
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 THE DIFFERENCE BETWEEN A NOOSE AND A HALO IS ONLY 12 INCHES.
 Job cpu time:       0 days  4 hours  2 minutes 47.0 seconds.
 Elapsed time:       0 days  0 hours 30 minutes 23.4 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:16:38 2021.
